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EC number: 232-311-4 | CAS number: 8002-50-4 Extractives and their physically modified derivatives such as proteins, carbohydrates, lipids, nucleic acids, inorganic ions, etc. obtained from Brevoortia tyrannis.
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The vapour pressure is estimated by calculation. The software (EPISuite MPBPVP (v1.43)) uses three different methods (Antoine method, modified grain method, Mackay method) to estimate the vapour pressure based on melting point and boiling point of the substance.
- GLP compliance:
- no
- Type of method:
- other: Calculation
- Specific details on test material used for the study:
- SMILES: CCCCCCCCCCCCCCCC(=O)(OCC(COC(=O)(CCCCCCCC=CCC=CCCCCC))OC(=O)(CCCCCCCCCCCCCCCCCCC)); MOL FOR: C57 H106 O6; MOL WT : 887.48;
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Antoine method
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Modified Grain Method
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Mackay Method
- Conclusions:
- The estimates for the vapour pressure of menhaden oil are below 1E-17 Pa for all three methods used.
- Executive summary:
The given vapour pressure of menhaden oil is calculated from estimated melting and boiling point by MPBPVP, using EPI Suite. All three used models predict very low values for the vapour pressure at 25°C (< 1E-17 Pa). The EPA recommend that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The vapour pressure is estimated by calculation. The software (EPI Suite MPBPVP (v1.43)) uses three different methods (Antoine method, modified grain method, Mackay method) to estimate the vapour pressure based on melting point and boiling point of the substance.
- GLP compliance:
- no
- Type of method:
- other: Calculation
- Specific details on test material used for the study:
- SMILES : O=C(CCCCCCCCCCCCCCCCC)OCC(OC(=O)(CCCCCCCCCCCCCCCC))COC(=O)(CCCCCCCCCCCCCCC); CHEM: Glycerides, C16-18; MOL FOR: C54 H104 O6; MOL WT: 849.43;
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Antoine Method
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Modified Grain Method
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Mackay Method
- Conclusions:
- The estimates for the vapor pressure of Glycerides, C16-18 are below 2.0E-13 Pa for all three methods used.
- Executive summary:
The given vapor pressure of Glycerides, C16 -18 is calculated from melting and boiling point by MPBPVP, using EPI Suite. All three used models predict very low values for the vapor pressure at 25°C (< 2e-13 Pa). The EPA recommend that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.
Referenceopen allclose all
Vapor Pressure Estimations (25 deg C):
(Using BP: 825.66 deg C (estimated))
(Using MP: 349.84 deg C (estimated))
VP: 6.59E-035 mm Hg (Antoine Method)
: 8.78E-033 Pa (Antoine Method)
VP: 1.26E-020 mm Hg (Modified Grain Method)
: 1.68E-018 Pa (Modified Grain Method)
VP: 7.5E-020 mm Hg (Mackay Method)
: 9.99E-018 Pa (Mackay Method)
Vapor Pressure Estimations (25 deg C):
(Using BP: 783.70 deg C (estimated))
(Using MP: 58.00 deg C (user entered))
VP: 1.7E-027 mm Hg (Antoine Method)
: 2.27E-025 Pa (Antoine Method)
VP: 4.5E-016 mm Hg (Modified Grain Method)
: 6E-014 Pa (Modified Grain Method)
VP: 8.46E-016 mm Hg (Mackay Method)
: 1.13E-013 Pa (Mackay Method)
Description of key information
Calculations predict very low values (< 2x10-13Pa) for the vapour pressure of menhaden oil and other triglycerides of long chain fatty acids. Therefore, the vapour pressure of menhaden oil is negligible.
Key value for chemical safety assessment
Additional information
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