Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 701-357-1 | CAS number: -
Physical & Chemical properties
Vapour pressure
Currently viewing:
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
- Principles of method if other than guideline:
- The vapour pressure (VP) value for the test substance, was predicted using the Modified Grain method of the MPBPWIN v1.44 program (EPI SuiteTMv4.11). Since the test substance is a UVCB, the VP values were predicted for the individual constituents (present at >1%) using SMILES codes as the input parameter. The alcohol residues (present at <8%), which can influence the overall VP predictions for the test substance, have been excluded from the QSAR modelling to get an accurate VP prediction for the test substance.
- Specific details on test material used for the study:
- Chemical name: Quaternary ammonium compounds, C12-14 (even numbered) alkyl(hydroxyethyl) dimethyl and C12 alkyl bis(hydroxyethyl) methyl, chlorides
Structural formula: Not defined as it is a UVCB
Structure codes:
The bioconcentration factor (BCF) values were determined for the all constituents using the SMILES code as the input parameter:
SMILES Constituents/Carbon chain length Conc. Range
C(CCCCCCCCCCC)N{+}(C)(C)Cl{-} C12 DMAC ≥20-≤40
C(CCCCCCCCCCCCC)N{+}(C)(C)Cl{-} C14 DMAC ≥5-≤15
C(CCCCCCCCCCCCCCC)N{+}(C)(C)Cl{-} C16 DMAC <5
[Cl-].CCCCCCCCCCCC[N+](C)(C)CCO C12 HEDMAC ≥25-≤50
[Cl-].CCCCCCCCCCCCCC[N+](C)(C)CCO C14 HEDMAC ≥10-≤20
[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CCO C16 HEDMAC <5
[Cl-].CCCCCCCCCCCC[N+](C)(CCO)CCO C12 bis-HEMAC <15
[Cl-].CCCCCCCCCCCCCC[N+](C)(CCO)CCO C14 bis-HEMAC <5
CCCCCCCCCCCCN(C)C C12-14 dimethylamine* <1
CCCCCCCCCCCCO Alcohol, C12-16* <3
CCCCCCCCCCCCCOCCO Alcohol, C12-16, ethoxylared, 1EO* <5
*Only constituents present at >1% have been considered for the VP predictions. Further, to get an accurate VP value for the test substance, the alcohol residues (present at <8%), which can influence the overall VP predictions for the test substance, have been excluded from the QSAR modelling. - Key result
- Temp.:
- ca. 25 °C
- Vapour pressure:
- ca. 0 - ca. 0 Pa
- Remarks on result:
- other: QSAR prediction by EPISUITE
- Remarks:
- MPBPVP model - Modified Grain Method - Individual constituent range
- Key result
- Temp.:
- ca. 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other:
- Remarks:
- Modified VP representation to reduce the prediction errors
- Conclusions:
- Using the Modified Grain method of the MPBPWIN v1.43 program (EPI Suite v4.11), the vapour pressure of the test substance was calculated to be 4.21E-14 to 2.50E-06 Pa (i.e., <1.34E-4 Pa).
- Executive summary:
The vapour pressure (VP) value for the test substance, C12-14 HEDMAC was predicted using the Modified Grain method of the MPBPWIN v1.44 program (EPI SuiteTMv4.11). Since the test substance is a UVCB, the VP values were predicted for the individual constituents (present at >1%) using SMILES codes as the input parameter. The alcohol residues (present at <8%), which can influence the overall VP predictions for the test substance, have been excluded from the QSAR modelling to get an accurate VP prediction for the test substance. Using the Modified Grain method, the VP values for the individual constituents of the test substance ranged from 4.21E-14 to 2.50E-06 Pa at 25°C (US EPA, 2019). Since not all constituents meet the boiling point (BP) and VP molecular descriptor domain cut-offs as defined in the MPBPVP user guide of EPI Suite TM, the VP predictions are considered to be less accurate. As the test substance is a UVCB, individual experimental BP values are not available to be used in order to reduce the uncertainty. However, for the VP parameter the chances of introducing errors when the predicted VP values were below the cut-off set by the tool, can be reduced by substituting the individual VP values as less than the cut-off value (i.e., <1.34E-4 Pa). This does not impact the interpretation of the VP values as in both cases the estimated VP values indicate low volatility potential.
Further, given that the major constituents could be structurally categorized into three classes of constituents (i.e., DMAC, HEDMAC and DHEMAC), whose structural differences are no more limited to only carbon chain length variations, a weighted average value,which takes into account the percentage of the constituent in the substance,has not been considered further to dampen the errors in predictions (if any).Nevertheless, the weighted average VP predictions in this case is same as individual predictions, because all the constituents had very low VP values which was replaced by the generic cut-off.Therefore, considering the individual VP predictions for the constituents, the overall test substance is expected to have a low volatility potential (ECHA, 2017) and low fugacity (ECHA, 2009), leading to low inhalation exposure to users and environmental exposure through air or via volatilisation from water.Overall, the VP predictions for the test substance using MPBPVP model of EPI Suite TM can be considered to be reliable with low to moderate confidence.
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 28 June 2019 to 02 July 2019
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- Result is considered to be influenced by presence of impurities. Also, static method has the limitation of measuring of VP as low 1 Pa, unless a capacitance manometer is used for the measurements.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- static method
- Key result
- Temp.:
- ca. 20 °C
- Vapour pressure:
- ca. 5 Pa
- Remarks on result:
- other: mean of run 1 and run 2
- Remarks:
- measured using a differential manometer
- Conclusions:
- Under the study conditions, the vapour pressure of the test substance was determined to be 5 Pa at 20°C.
- Executive summary:
A study was conducted to determine the vapour pressure of the test substance C12-14 HEDMAC (≥ 90% active) using static method and differential manometer, according to the EU Method A.4, in compliance with GLP. Under the study conditions, the vapour pressure of the test substance was determined to be 5 Pa at 20°C (Bee, 2019).
Referenceopen allclose all
QSAR predictions
The estimated vapour presssure values for the different constituents using the Modified Grain method were as follows:
| SMILES | Constituents/Carbon chain length | Concentration range (%) | VP (Pa) | Domain evaluation |
| C(CCCCCCCCCCC)N{+}(C)(C)Cl{-} | C12 DMAC | ≥20-≤40 | 2.50E-06 | ID - MW and MP, OD - BP and VP |
| C(CCCCCCCCCCCCC)N{+}(C)(C)Cl{-} | C14 DMAC | ≥5-≤15 | 4.39E-07 | ID - MW and MP, OD - BP and VP |
| C(CCCCCCCCCCCCCCC)N{+}(C)(C)Cl{-} | C16 DMAC | <5 | 7.87E-08 | ID - MW and MP, OD - BP and VP |
| [Cl-].CCCCCCCCCCCC[N+](C)(C)CCO | C12 HEDMAC | ≥25-≤50 | 1.24E-10 | ID - MW and MP, OD - BP and VP |
| [Cl-].CCCCCCCCCCCCCC[N+](C)(C)CCO | C14 HEDMAC | ≥10-≤20 | 1.78E-11 | ID - MW and MP, OD - BP and VP |
| [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CCO | C16 HEDMAC | <5 | 2.51E-12 | ID - MW and MP, OD - BP and VP |
| [Cl-].CCCCCCCCCCCC[N+](C)(CCO)CCO | C12 DHEMAC | <15 | 3.25E-13 | ID - MW and MP, OD - BP and VP |
| [Cl-].CCCCCCCCCCCCCC[N+](C)(CCO)CCO | C14 DHEMAC | <5 | 4.21E-14 | ID - MW and MP, OD - BP and VP |
Details on results:
| VP | |||
| Experimental Database Structure Match: no data | |||
| SMILES : CCCCCCCCCCCCN(C)(C)(CL) | |||
| CHEM : | |||
| MOL FOR: C14 H31 CL1 N1 | MW (Training set) | MW (Validation) | |
| MOL WT : 248.86 | ID | 16.04 | 943.17 |
| ------------------------ SUMMARY MPBPWIN v1.43 -------------------- | |||
| BP cut off (deg C) | |||
| Boiling Point: 442.94 deg C (Adapted Stein and Brown Method) | OD | 226.85 | |
| Melting Point: 311.56 deg C (Adapted Joback Method) | |||
| Melting Point: 144.97 deg C (Gold and Ogle Method) | |||
| Mean Melt Pt : 228.27 deg C (Joback; Gold,Ogle Methods) | MP cut off | ||
| Selected MP: 178.29 deg C (Weighted Value) | ID | 350 deg C | |
| Vapor Pressure Estimations (25 deg C): | |||
| (Using BP: 442.94 deg C (estimated)) | |||
| (Using MP: 178.29 deg C (estimated)) | |||
| VP: 1.55E-009 mm Hg (Antoine Method) | |||
| : 2.07E-007 Pa (Antoine Method) | |||
| VP: 1.88E-008 mm Hg (Modified Grain Method) | |||
| : 2.5E-006 Pa (Modified Grain Method) | |||
| VP: 4.69E-008 mm Hg (Mackay Method) | |||
| : 6.25E-006 Pa (Mackay Method) | |||
| Selected VP: 1.88E-008 mm Hg (Modified Grain Method) | VP cut off | ||
| : 2.5E-006 Pa (Modified Grain Method) | OD | 0.0001333 Pa | |
| Subcooled liquid VP: 7.35E-007 mm Hg (25 deg C, Mod-Grain method) | |||
| : 9.8E-005 Pa (25 deg C, Mod-Grain method) | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 3 | -CH3 | 21.98 | 65.94 | |||
| Group | 11 | -CH2- | 24.22 | 266.42 | |||
| Group | 1 | -Cl | 34.08 | 34.08 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 198.18 | |||
| =============+====================+==========+========= | |||
| RESULT-uncorr| BOILING POINT in deg Kelvin | 904.62 | |||
| RESULT- corr | BOILING POINT in deg Kelvin | 716.10 | |||
| | BOILING POINT in deg C | 442.94 | |||
| ------------------------------------------------------- | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 3 | -CH3 | -5.10 | -15.30 | |||
| Group | 11 | -CH2- | 11.27 | 123.97 | |||
| Group | 1 | -Cl | 13.55 | 13.55 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 122.50 | |||
| =============+====================+==========+========= | |||
| RESULT | MELTING POINT in deg Kelvin | 584.72 | |||
| | MELTING POINT in deg C | 311.56 | |||
| ------------------------------------------------------- | |||
| Experimental Database Structure Match: no data | |||
| SMILES : CCCCCCCCCCCCCCN(C)(C)(CL) | |||
| CHEM : | |||
| MOL FOR: C16 H35 CL1 N1 | MW (Training set) | MW (Validation) | |
| MOL WT : 276.92 | ID | 16.04 | 943.17 |
| ------------------------ SUMMARY MPBPWIN v1.43 -------------------- | |||
| BP cut off (deg C) | |||
| Boiling Point: 466.15 deg C (Adapted Stein and Brown Method) | OD | 226.85 | |
| Melting Point: 334.10 deg C (Adapted Joback Method) | |||
| Melting Point: 158.52 deg C (Gold and Ogle Method) | |||
| Mean Melt Pt : 246.31 deg C (Joback; Gold,Ogle Methods) | MP cut off | ||
| Selected MP: 193.64 deg C (Weighted Value) | ID | 350 deg C | |
| Vapor Pressure Estimations (25 deg C): | |||
| (Using BP: 466.15 deg C (estimated)) | |||
| (Using MP: 193.64 deg C (estimated)) | |||
| VP: 1.46E-010 mm Hg (Antoine Method) | |||
| : 1.94E-008 Pa (Antoine Method) | |||
| VP: 3.3E-009 mm Hg (Modified Grain Method) | |||
| : 4.39E-007 Pa (Modified Grain Method) | |||
| VP: 8.81E-009 mm Hg (Mackay Method) | |||
| : 1.17E-006 Pa (Mackay Method) | |||
| Selected VP: 3.3E-009 mm Hg (Modified Grain Method) | VP cut off | ||
| : 4.39E-007 Pa (Modified Grain Method) | OD | 0.0001333 Pa | |
| Subcooled liquid VP: 1.95E-007 mm Hg (25 deg C, Mod-Grain method) | |||
| : 2.6E-005 Pa (25 deg C, Mod-Grain method) | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 3 | -CH3 | 21.98 | 65.94 | |||
| Group | 13 | -CH2- | 24.22 | 314.86 | |||
| Group | 1 | -Cl | 34.08 | 34.08 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 198.18 | |||
| =============+====================+==========+========= | |||
| RESULT-uncorr| BOILING POINT in deg Kelvin | 953.06 | |||
| RESULT- corr | BOILING POINT in deg Kelvin | 739.31 | |||
| | BOILING POINT in deg C | 466.15 | |||
| ------------------------------------------------------- | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 3 | -CH3 | -5.10 | -15.30 | |||
| Group | 13 | -CH2- | 11.27 | 146.51 | |||
| Group | 1 | -Cl | 13.55 | 13.55 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 122.50 | |||
| =============+====================+==========+========= | |||
| RESULT | MELTING POINT in deg Kelvin | 607.26 | |||
| | MELTING POINT in deg C | 334.10 | |||
| ------------------------------------------------------- | |||
| ------------------------------------------------------- | |||
| Experimental Database Structure Match: no data | |||
| SMILES : CCCCCCCCCCCCCCCCN(C)(C)(CL) | |||
| CHEM : | |||
| MOL FOR: C18 H39 CL1 N1 | MW (Training set) | MW (Validation) | |
| MOL WT : 304.97 | ID | 16.04 | 943.17 |
| ------------------------ SUMMARY MPBPWIN v1.43 -------------------- | |||
| BP cut off (deg C) | |||
| Boiling Point: 489.36 deg C (Adapted Stein and Brown Method) | OD | 226.85 | |
| Melting Point: 349.84 deg C (Adapted Joback Method) | |||
| Melting Point: 172.07 deg C (Gold and Ogle Method) | |||
| Mean Melt Pt : 260.96 deg C (Joback; Gold,Ogle Methods) | MP cut off | ||
| Selected MP: 207.63 deg C (Weighted Value) | ID | 350 deg C | |
| Vapor Pressure Estimations (25 deg C): | |||
| (Using BP: 489.36 deg C (estimated)) | |||
| (Using MP: 207.63 deg C (estimated)) | |||
| VP: 1.27E-011 mm Hg (Antoine Method) | |||
| : 1.69E-009 Pa (Antoine Method) | |||
| VP: 5.9E-010 mm Hg (Modified Grain Method) | |||
| : 7.87E-008 Pa (Modified Grain Method) | |||
| VP: 1.69E-009 mm Hg (Mackay Method) | |||
| : 2.25E-007 Pa (Mackay Method) | |||
| Selected VP: 5.9E-010 mm Hg (Modified Grain Method) | VP cut off | ||
| : 7.87E-008 Pa (Modified Grain Method) | OD | 0.0001333 Pa | |
| Subcooled liquid VP: 5.1E-008 mm Hg (25 deg C, Mod-Grain method) | |||
| : 6.79E-006 Pa (25 deg C, Mod-Grain method) | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 3 | -CH3 | 21.98 | 65.94 | |||
| Group | 15 | -CH2- | 24.22 | 363.30 | |||
| Group | 1 | -Cl | 34.08 | 34.08 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 198.18 | |||
| =============+====================+==========+========= | |||
| RESULT-uncorr| BOILING POINT in deg Kelvin | 1001.50 | |||
| RESULT- corr | BOILING POINT in deg Kelvin | 762.52 | |||
| | BOILING POINT in deg C | 489.36 | |||
| ------------------------------------------------------- | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 3 | -CH3 | -5.10 | -15.30 | |||
| Group | 15 | -CH2- | 11.27 | 169.05 | |||
| Group | 1 | -Cl | 13.55 | 13.55 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 122.50 | |||
| =============+====================+==========+========= | |||
| RESULT | MELTING POINT in deg Kelvin | 629.80 | |||
| RESULT-limit| MELTING POINT in deg Kelvin | 623.00 | |||
| | MELTING POINT in deg C | 349.84 | |||
| ------------------------------------------------------- | |||
| Experimental Database Structure Match: no data | |||
| SMILES : CCCCCCCCCCCCN(C)(C)(CCO)(CL) | |||
| CHEM : | |||
| MOL FOR: C16 H36 CL1 N1 O1 | MW (Training set) | MW (Validation) | |
| MOL WT : 293.92 | ID | 16.04 | 943.17 |
| ------------------------ SUMMARY MPBPWIN v1.43 -------------------- | |||
| BP cut off (deg C) | |||
| Boiling Point: 508.53 deg C (Adapted Stein and Brown Method) | OD | 226.85 | |
| Melting Point: 349.84 deg C (Adapted Joback Method) | |||
| Melting Point: 183.27 deg C (Gold and Ogle Method) | |||
| Mean Melt Pt : 266.56 deg C (Joback; Gold,Ogle Methods) | MP cut off | ||
| Selected MP: 216.58 deg C (Weighted Value) | ID | 350 deg C | |
| Vapor Pressure Estimations (25 deg C): | |||
| (Using BP: 508.53 deg C (estimated)) | |||
| (Using MP: 216.58 deg C (estimated)) | |||
| VP: 4E-015 mm Hg (Antoine Method) | |||
| : 5.33E-013 Pa (Antoine Method) | |||
| VP: 9.29E-013 mm Hg (Modified Grain Method) | |||
| : 1.24E-010 Pa (Modified Grain Method) | |||
| VP: 4.52E-010 mm Hg (Mackay Method) | |||
| : 6.02E-008 Pa (Mackay Method) | |||
| Selected VP: 9.29E-013 mm Hg (Modified Grain Method) | VP cut off | ||
| : 1.24E-010 Pa (Modified Grain Method) | OD | 0.0001333 Pa | |
| Subcooled liquid VP: 1.02E-010 mm Hg (25 deg C, Mod-Grain method) | |||
| : 1.37E-008 Pa (25 deg C, Mod-Grain method) | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 3 | -CH3 | 21.98 | 65.94 | |||
| Group | 13 | -CH2- | 24.22 | 314.86 | |||
| Group | 1 | -Cl | 34.08 | 34.08 | |||
| Group | 1 | -OH (primary) | 88.46 | 88.46 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 198.18 | |||
| =============+====================+==========+========= | |||
| RESULT-uncorr| BOILING POINT in deg Kelvin | 1041.52 | |||
| RESULT- corr | BOILING POINT in deg Kelvin | 781.69 | |||
| | BOILING POINT in deg C | 508.53 | |||
| ------------------------------------------------------- | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 3 | -CH3 | -5.10 | -15.30 | |||
| Group | 13 | -CH2- | 11.27 | 146.51 | |||
| Group | 1 | -Cl | 13.55 | 13.55 | |||
| Group | 1 | -OH (primary) | 44.45 | 44.45 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 122.50 | |||
| =============+====================+==========+========= | |||
| RESULT | MELTING POINT in deg Kelvin | 651.71 | |||
| RESULT-limit| MELTING POINT in deg Kelvin | 623.00 | |||
| | MELTING POINT in deg C | 349.84 | |||
| ------------------------------------------------------- | |||
| Experimental Database Structure Match: no data | |||
| SMILES : CCCCCCCCCCCCCCN(C)(C)(CCO)(CL) | |||
| CHEM : | |||
| MOL FOR: C18 H40 CL1 N1 O1 | MW (Training set) | MW (Validation) | |
| MOL WT : 321.98 | ID | 16.04 | 943.17 |
| ------------------------ SUMMARY MPBPWIN v1.43 -------------------- | |||
| BP cut off (deg C) | |||
| Boiling Point: 531.74 deg C (Adapted Stein and Brown Method) | OD | 226.85 | |
| Melting Point: 349.84 deg C (Adapted Joback Method) | |||
| Melting Point: 196.82 deg C (Gold and Ogle Method) | |||
| Mean Melt Pt : 273.33 deg C (Joback; Gold,Ogle Methods) | MP cut off | ||
| Selected MP: 227.42 deg C (Weighted Value) | ID | 350 deg C | |
| Vapor Pressure Estimations (25 deg C): | |||
| (Using BP: 531.74 deg C (estimated)) | |||
| (Using MP: 227.42 deg C (estimated)) | |||
| VP: 1.9E-016 mm Hg (Antoine Method) | |||
| : 2.53E-014 Pa (Antoine Method) | |||
| VP: 1.33E-013 mm Hg (Modified Grain Method) | |||
| : 1.78E-011 Pa (Modified Grain Method) | |||
| VP: 9.06E-011 mm Hg (Mackay Method) | |||
| : 1.21E-008 Pa (Mackay Method) | |||
| Selected VP: 1.33E-013 mm Hg (Modified Grain Method) | VP cut off | ||
| : 1.78E-011 Pa (Modified Grain Method) | OD | 0.0001333 Pa | |
| Subcooled liquid VP: 1.98E-011 mm Hg (25 deg C, Mod-Grain method) | |||
| : 2.64E-009 Pa (25 deg C, Mod-Grain method) | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 3 | -CH3 | 21.98 | 65.94 | |||
| Group | 15 | -CH2- | 24.22 | 363.30 | |||
| Group | 1 | -Cl | 34.08 | 34.08 | |||
| Group | 1 | -OH (primary) | 88.46 | 88.46 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 198.18 | |||
| =============+====================+==========+========= | |||
| RESULT-uncorr| BOILING POINT in deg Kelvin | 1089.96 | |||
| RESULT- corr | BOILING POINT in deg Kelvin | 804.90 | |||
| | BOILING POINT in deg C | 531.74 | |||
| ------------------------------------------------------- | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 3 | -CH3 | -5.10 | -15.30 | |||
| Group | 15 | -CH2- | 11.27 | 169.05 | |||
| Group | 1 | -Cl | 13.55 | 13.55 | |||
| Group | 1 | -OH (primary) | 44.45 | 44.45 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 122.50 | |||
| =============+====================+==========+========= | |||
| RESULT | MELTING POINT in deg Kelvin | 674.25 | |||
| RESULT-limit| MELTING POINT in deg Kelvin | 623.00 | |||
| | MELTING POINT in deg C | 349.84 | |||
| ------------------------------------------------------- | |||
| Experimental Database Structure Match: no data | |||
| SMILES : CCCCCCCCCCCCCCCCN(C)(C)(CCO)(CL) | |||
| CHEM : | |||
| MOL FOR: C20 H44 CL1 N1 O1 | MW (Training set) | MW (Validation) | |
| MOL WT : 350.03 | 16.04 | 943.17 | |
| ------------------------ SUMMARY MPBPWIN v1.43 -------------------- | |||
| BP cut off (deg C) | |||
| Boiling Point: 554.95 deg C (Adapted Stein and Brown Method) | OD | 226.85 | |
| Melting Point: 349.84 deg C (Adapted Joback Method) | |||
| Melting Point: 210.37 deg C (Gold and Ogle Method) | |||
| Mean Melt Pt : 280.11 deg C (Joback; Gold,Ogle Methods) | MP cut off | ||
| Selected MP: 238.27 deg C (Weighted Value) | ID | 350 deg C | |
| Vapor Pressure Estimations (25 deg C): | |||
| (Using BP: 554.95 deg C (estimated)) | |||
| (Using MP: 238.27 deg C (estimated)) | |||
| VP: 7.7E-018 mm Hg (Antoine Method) | |||
| : 1.03E-015 Pa (Antoine Method) | |||
| VP: 1.88E-014 mm Hg (Modified Grain Method) | |||
| : 2.51E-012 Pa (Modified Grain Method) | |||
| VP: 1.8E-011 mm Hg (Mackay Method) | |||
| : 2.4E-009 Pa (Mackay Method) | |||
| Selected VP: 1.88E-014 mm Hg (Modified Grain Method) | VP cut off | ||
| : 2.51E-012 Pa (Modified Grain Method) | OD | 0.0001333 Pa | |
| Subcooled liquid VP: 3.78E-012 mm Hg (25 deg C, Mod-Grain method) | |||
| : 5.04E-010 Pa (25 deg C, Mod-Grain method) | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 3 | -CH3 | 21.98 | 65.94 | |||
| Group | 17 | -CH2- | 24.22 | 411.74 | |||
| Group | 1 | -Cl | 34.08 | 34.08 | |||
| Group | 1 | -OH (primary) | 88.46 | 88.46 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 198.18 | |||
| =============+====================+==========+========= | |||
| RESULT-uncorr| BOILING POINT in deg Kelvin | 1138.40 | |||
| RESULT- corr | BOILING POINT in deg Kelvin | 828.11 | |||
| | BOILING POINT in deg C | 554.95 | |||
| ------------------------------------------------------- | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 3 | -CH3 | -5.10 | -15.30 | |||
| Group | 17 | -CH2- | 11.27 | 191.59 | |||
| Group | 1 | -Cl | 13.55 | 13.55 | |||
| Group | 1 | -OH (primary) | 44.45 | 44.45 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 122.50 | |||
| =============+====================+==========+========= | |||
| RESULT | MELTING POINT in deg Kelvin | 696.79 | |||
| RESULT-limit| MELTING POINT in deg Kelvin | 623.00 | |||
| | MELTING POINT in deg C | 349.84 | |||
| ------------------------------------------------------- | |||
| Experimental Database Structure Match: no data | |||
| SMILES : CCCCCCCCCCCCN(C)(CCO)(CCO)(CL) | |||
| CHEM : | |||
| MOL FOR: C17 H38 CL1 N1 O2 | MW (Training set) | MW (Validation) | |
| MOL WT : 323.95 | 16.04 | 943.17 | |
| ------------------------ SUMMARY MPBPWIN v1.43 -------------------- | |||
| BP cut off (deg C) | |||
| Boiling Point: 563.59 deg C (Adapted Stein and Brown Method) | OD | 226.85 | |
| Melting Point: 349.84 deg C (Adapted Joback Method) | |||
| Melting Point: 215.42 deg C (Gold and Ogle Method) | |||
| Mean Melt Pt : 282.63 deg C (Joback; Gold,Ogle Methods) | MP cut off | ||
| Selected MP: 242.30 deg C (Weighted Value) | ID | 350 deg C | |
| Vapor Pressure Estimations (25 deg C): | |||
| (Using BP: 563.59 deg C (estimated)) | |||
| (Using MP: 242.30 deg C (estimated)) | |||
| VP: 4.35E-019 mm Hg (Antoine Method) | |||
| : 5.8E-017 Pa (Antoine Method) | |||
| VP: 2.44E-015 mm Hg (Modified Grain Method) | |||
| : 3.25E-013 Pa (Modified Grain Method) | |||
| VP: 9.8E-012 mm Hg (Mackay Method) | |||
| : 1.31E-009 Pa (Mackay Method) | |||
| Selected VP: 2.44E-015 mm Hg (Modified Grain Method) | VP cut off | ||
| : 3.25E-013 Pa (Modified Grain Method) | OD | 0.0001333 Pa | |
| Subcooled liquid VP: 5.49E-013 mm Hg (25 deg C, Mod-Grain method) | |||
| : 7.31E-011 Pa (25 deg C, Mod-Grain method) | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 2 | -CH3 | 21.98 | 43.96 | |||
| Group | 15 | -CH2- | 24.22 | 363.30 | |||
| Group | 1 | -Cl | 34.08 | 34.08 | |||
| Group | 2 | -OH (primary) | 88.46 | 176.92 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 198.18 | |||
| =============+====================+==========+========= | |||
| RESULT-uncorr| BOILING POINT in deg Kelvin | 1156.44 | |||
| RESULT- corr | BOILING POINT in deg Kelvin | 836.75 | |||
| | BOILING POINT in deg C | 563.59 | |||
| ------------------------------------------------------- | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 2 | -CH3 | -5.10 | -10.20 | |||
| Group | 15 | -CH2- | 11.27 | 169.05 | |||
| Group | 1 | -Cl | 13.55 | 13.55 | |||
| Group | 2 | -OH (primary) | 44.45 | 88.90 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 122.50 | |||
| =============+====================+==========+========= | |||
| RESULT | MELTING POINT in deg Kelvin | 723.80 | |||
| RESULT-limit| MELTING POINT in deg Kelvin | 623.00 | |||
| | MELTING POINT in deg C | 349.84 | |||
| ------------------------------------------------------- | |||
| Experimental Database Structure Match: no data | |||
| SMILES : CCCCCCCCCCCCCCN(C)(CCO)(CCO)(CL) | |||
| CHEM : | |||
| MOL FOR: C19 H42 CL1 N1 O2 | MW (Training set) | MW (Validation) | |
| MOL WT : 352.01 | 16.04 | 943.17 | |
| ------------------------ SUMMARY MPBPWIN v1.43 -------------------- | |||
| BP cut off (deg C) | |||
| Boiling Point: 586.80 deg C (Adapted Stein and Brown Method) | OD | 226.85 | |
| Melting Point: 349.84 deg C (Adapted Joback Method) | |||
| Melting Point: 228.97 deg C (Gold and Ogle Method) | |||
| Mean Melt Pt : 289.40 deg C (Joback; Gold,Ogle Methods) | MP cut off | ||
| Selected MP: 253.14 deg C (Weighted Value) | ID | 350 deg C | |
| Vapor Pressure Estimations (25 deg C): | |||
| (Using BP: 586.80 deg C (estimated)) | |||
| (Using MP: 253.14 deg C (estimated)) | |||
| VP: 1.22E-020 mm Hg (Antoine Method) | |||
| : 1.63E-018 Pa (Antoine Method) | |||
| VP: 3.16E-016 mm Hg (Modified Grain Method) | |||
| : 4.21E-014 Pa (Modified Grain Method) | |||
| VP: 1.91E-012 mm Hg (Mackay Method) | |||
| : 2.55E-010 Pa (Mackay Method) | |||
| Selected VP: 3.16E-016 mm Hg (Modified Grain Method) | VP cut off | ||
| : 4.21E-014 Pa (Modified Grain Method) | OD | 0.0001333 Pa | |
| Subcooled liquid VP: 9.65E-014 mm Hg (25 deg C, Mod-Grain method) | |||
| : 1.29E-011 Pa (25 deg C, Mod-Grain method) | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 2 | -CH3 | 21.98 | 43.96 | |||
| Group | 17 | -CH2- | 24.22 | 411.74 | |||
| Group | 1 | -Cl | 34.08 | 34.08 | |||
| Group | 2 | -OH (primary) | 88.46 | 176.92 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 198.18 | |||
| =============+====================+==========+========= | |||
| RESULT-uncorr| BOILING POINT in deg Kelvin | 1204.88 | |||
| RESULT- corr | BOILING POINT in deg Kelvin | 859.96 | |||
| | BOILING POINT in deg C | 586.80 | |||
| ------------------------------------------------------- | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 2 | -CH3 | -5.10 | -10.20 | |||
| Group | 17 | -CH2- | 11.27 | 191.59 | |||
| Group | 1 | -Cl | 13.55 | 13.55 | |||
| Group | 2 | -OH (primary) | 44.45 | 88.90 | |||
| Group | 1 | >N< (+5) | 340.00 | 340.00 | |||
| * | | Equation Constant | | 122.50 | |||
| =============+====================+==========+========= | |||
| RESULT | MELTING POINT in deg Kelvin | 746.34 | |||
| RESULT-limit| MELTING POINT in deg Kelvin | 623.00 | |||
| | MELTING POINT in deg C | 349.84 | |||
| ------------------------------------------------------- | |||
| Experimental Database Structure Match: | |||
| Name : N,N-DIMETHYLDODECYLAMINE | |||
| CAS Num : 000112-18-5 | |||
| Exp MP (deg C): -15 | |||
| Exp BP (deg C): 260 | |||
| Exp VP (mm Hg): --- | |||
| SMILES : CCCCCCCCCCCCN(C)C | |||
| CHEM : | |||
| MOL FOR: C14 H31 N1 | MW (Training set) | MW (Validation) | |
| MOL WT : 213.41 | 16.04 | 943.17 | |
| ------------------------ SUMMARY MPBPWIN v1.44 -------------------- | |||
| BP cut off (deg C) | |||
| Boiling Point: 260.12 deg C (Adapted Stein and Brown Method) | OD | 226.85 | |
| Melting Point: 6.85 deg C (Adapted Joback Method) | |||
| Melting Point: 38.22 deg C (Gold and Ogle Method) | |||
| Mean Melt Pt : 22.53 deg C (Joback; Gold,Ogle Methods) | MP cut off | ||
| Selected MP: 22.53 deg C (Mean Value) | ID | 350 deg C | |
| Vapor Pressure Estimations (25 deg C): | |||
| (Using BP: 260.00 deg C (exp database)) | |||
| (MP not used for liquids) | |||
| VP: 0.0159 mm Hg (Antoine Method) | |||
| : 2.12 Pa (Antoine Method) | |||
| VP: 0.0159 mm Hg (Modified Grain Method) | |||
| : 2.12 Pa (Modified Grain Method) | |||
| VP: 0.0285 mm Hg (Mackay Method) | |||
| : 3.8 Pa (Mackay Method) | |||
| Selected VP: 0.0159 mm Hg (Mean of Antoine & Grain methods) | VP cut off | ||
| : 2.12 Pa (Mean of Antoine & Grain methods) | ID | 0.0001333 Pa | |
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 3 | -CH3 | 21.98 | 65.94 | |||
| Group | 11 | -CH2- | 24.22 | 266.42 | |||
| Group | 1 | >N- | 25.78 | 25.78 | |||
| * | | Equation Constant | | 198.18 | |||
| =============+====================+==========+========= | |||
| RESULT-uncorr| BOILING POINT in deg Kelvin | 556.32 | |||
| RESULT- corr | BOILING POINT in deg Kelvin | 533.28 | |||
| | BOILING POINT in deg C | 260.12 | |||
| ------------------------------------------------------- | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 3 | -CH3 | -5.10 | -15.30 | |||
| Group | 11 | -CH2- | 11.27 | 123.97 | |||
| Group | 1 | >N- | 48.84 | 48.84 | |||
| * | | Equation Constant | | 122.50 | |||
| =============+====================+==========+========= | |||
| RESULT | MELTING POINT in deg Kelvin | 280.01 | |||
| | MELTING POINT in deg C | 6.85 | |||
| ------------------------------------------------------- | |||
| Experimental Database Structure Match: | |||
| Name : DODECANOL | |||
| CAS Num : 000112-53-8 | |||
| Exp MP (deg C): 24 | |||
| Exp BP (deg C): 259 | |||
| Exp VP (mm Hg): 8.48E-04 | |||
| (Pa ): 1.13E-001 | |||
| Exp VP (deg C): 25 | |||
| Exp VP ref : DAUBERT,TE & DANNER,RP (1989) | |||
| SMILES : CCCCCCCCCCCCO | |||
| CHEM : | |||
| MOL FOR: C12 H26 O1 | MW (Training set) | MW (Validation) | |
| MOL WT : 186.34 | 16.04 | 943.17 | |
| ------------------------ SUMMARY MPBPWIN v1.43 -------------------- | |||
| BP cut off (deg C) | |||
| Boiling Point: 272.96 deg C (Adapted Stein and Brown Method) | OD | 226.85 | |
| Melting Point: 12.66 deg C (Adapted Joback Method) | |||
| Melting Point: 45.72 deg C (Gold and Ogle Method) | |||
| Mean Melt Pt : 29.19 deg C (Joback; Gold,Ogle Methods) | MP cut off | ||
| Selected MP: 29.19 deg C (Mean Value) | ID | 350 deg C | |
| Vapor Pressure Estimations (25 deg C): | |||
| (Using BP: 259.00 deg C (exp database)) | |||
| (MP not used for liquids) | |||
| VP: 0.00182 mm Hg (Antoine Method) | |||
| : 0.243 Pa (Antoine Method) | |||
| VP: 0.00181 mm Hg (Modified Grain Method) | |||
| : 0.241 Pa (Modified Grain Method) | |||
| VP: 0.03 mm Hg (Mackay Method) | |||
| : 3.99 Pa (Mackay Method) | |||
| Selected VP: 0.00181 mm Hg (Mean of Antoine & Grain methods) | VP cut off | ||
| : 0.242 Pa (Mean of Antoine & Grain methods) | ID | 0.0001333 Pa | |
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 1 | -CH3 | 21.98 | 21.98 | |||
| Group | 11 | -CH2- | 24.22 | 266.42 | |||
| Group | 1 | -OH (primary) | 88.46 | 88.46 | |||
| * | | Equation Constant | | 198.18 | |||
| =============+====================+==========+========= | |||
| RESULT-uncorr| BOILING POINT in deg Kelvin | 575.04 | |||
| RESULT- corr | BOILING POINT in deg Kelvin | 546.12 | |||
| | BOILING POINT in deg C | 272.96 | |||
| ------------------------------------------------------- | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 1 | -CH3 | -5.10 | -5.10 | |||
| Group | 11 | -CH2- | 11.27 | 123.97 | |||
| Group | 1 | -OH (primary) | 44.45 | 44.45 | |||
| * | | Equation Constant | | 122.50 | |||
| =============+====================+==========+========= | |||
| RESULT | MELTING POINT in deg Kelvin | 285.82 | |||
| | MELTING POINT in deg C | 12.66 | |||
| ------------------------------------------------------- | |||
| Experimental Database Structure Match: no data | |||
| SMILES : CCCCCCCCCCCCCOCCO | |||
| CHEM : | |||
| MOL FOR: C15 H32 O2 | MW (Training set) | MW (Validation) | |
| MOL WT : 244.42 | 16.04 | 943.17 | |
| ------------------------ SUMMARY MPBPWIN v1.44 -------------------- | |||
| BP cut off (deg C) | |||
| Boiling Point: 331.28 deg C (Adapted Stein and Brown Method) | OD | 226.85 | |
| Melting Point: 68.70 deg C (Adapted Joback Method) | |||
| Melting Point: 79.77 deg C (Gold and Ogle Method) | |||
| Mean Melt Pt : 74.24 deg C (Joback; Gold,Ogle Methods) | MP cut off | ||
| Selected MP: 74.24 deg C (Mean Value) | ID | 350 deg C | |
| Vapor Pressure Estimations (25 deg C): | |||
| (Using BP: 331.28 deg C (estimated)) | |||
| (Using MP: 74.24 deg C (estimated)) | |||
| VP: 3.17E-006 mm Hg (Antoine Method) | |||
| : 0.000423 Pa (Antoine Method) | |||
| VP: 6.1E-006 mm Hg (Modified Grain Method) | |||
| : 0.000813 Pa (Modified Grain Method) | |||
| VP: 0.000232 mm Hg (Mackay Method) | |||
| : 0.0309 Pa (Mackay Method) | |||
| Selected VP: 6.1E-006 mm Hg (Modified Grain Method) | VP cut off | ||
| : 0.000813 Pa (Modified Grain Method) | ID | 0.0001333 Pa | |
| Subcooled liquid VP: 1.78E-005 mm Hg (25 deg C, Mod-Grain method) | |||
| : 0.00238 Pa (25 deg C, Mod-Grain method) | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 1 | -CH3 | 21.98 | 21.98 | |||
| Group | 14 | -CH2- | 24.22 | 339.08 | |||
| Group | 1 | -O- (nonring) | 25.16 | 25.16 | |||
| Group | 1 | -OH (primary) | 88.46 | 88.46 | |||
| * | | Equation Constant | | 198.18 | |||
| =============+====================+==========+========= | |||
| RESULT-uncorr| BOILING POINT in deg Kelvin | 672.86 | |||
| RESULT- corr | BOILING POINT in deg Kelvin | 604.44 | |||
| | BOILING POINT in deg C | 331.28 | |||
| ------------------------------------------------------- | |||
| -------+-----+--------------------+----------+--------- | |||
| TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE | |||
| -------+-----+--------------------+----------+--------- | |||
| Group | 1 | -CH3 | -5.10 | -5.10 | |||
| Group | 14 | -CH2- | 11.27 | 157.78 | |||
| Group | 1 | -O- (nonring) | 22.23 | 22.23 | |||
| Group | 1 | -OH (primary) | 44.45 | 44.45 | |||
| * | | Equation Constant | | 122.50 | |||
| =============+====================+==========+========= | |||
| RESULT | MELTING POINT in deg Kelvin | 341.86 | |||
| | MELTING POINT in deg C | 68.70 | |||
Results
Temp / °C |
Temp / K |
P / mbar |
*P / Pa |
Run 1 |
|||
20.0 |
293.15 |
0.0497 |
4.97 |
30.0 |
303.15 |
0.0853 |
8.53 |
39.9 |
313.05 |
0.1387 |
13.87 |
49.9 |
323.05 |
0.1879 |
18.79 |
Run 2 |
|||
20.0 |
293.15 |
0.0451 |
4.51 |
30.0 |
303.15 |
0.0823 |
8.23 |
39.8 |
312.95 |
0.1429 |
14.29 |
50.0 |
323.15 |
0.2049 |
20.49 |
* Calculated
Comments
Run 1: The test substance (5.2g) was transferred into a 50 mL round bottomed flask. The test substance was degassed over approximately 70 hours and the vacuum at the start of the analysis was 0.0020mbar.
Run 2: The test substance (5.4g) was transferred into a 50 mL round bottomed flask. The test substance was degassed over approximately 93.5 hours and the vacuum at the start of the analysis was 0.0020mbar.
Description of key information
The vapour pressure of the solvent-free test substance (≥ 90% active) was predicted using EPISuite v.4.11 (US EPA, 2020) as well using static method with differential manometer, according to EU Method A.4 (Bee, 2019).
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
The experimental vapour pressure of the test substance was determined to be 5 Pa at 20 °C using the static method, which is relatively higher than the expected and hence was suspected to be due to the presence of impurities.
This was confirmed by the very low VP predictions obtained for the individual constituents of the test substance using EPI Suite. The predicted VP values of the solvent-free test substance ranged from 4.2E-14 to 2.5E-06 Pa at 25 °C, while the VP values for the residual free alcohol and ethoxylated alcohol were predicted to be 0.241 and 2.36E-03 Pa at 25 °C respectively.
As the VP predictions for the individual constituents were very low values, which was below the cut-off, below which the chances of prediction error increases, the original VP values were generically represented as <3.4E-4 Pa.
Therefore, in the absence of a reliable experimental VP value, the predicted VP value of <3.4E-4 Pa at 25 °C from EPI Suite, has been considered further for the hazard/risk assessment.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
