Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Diss Factsheets
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: 239-147-2 | CAS number: 15096-41-0
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
![](https://chesar.echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_physical-and-chemical-properties.png)
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Data waiving:
- study technically not feasible
- Justification for data waiving:
- other:
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Please refer to the QMRF and QPRF files provided under the section attached justification.
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARS R.6
- Deviations:
- no
- Principles of method if other than guideline:
- Estimation of vapour pressure using MPBPVPwin v1.43 as part of EPISuite
- GLP compliance:
- no
- Type of method:
- other: Calculation
- Specific details on test material used for the study:
- SMILES: CL[Cr]1(CL)(O[Cr](CL)(CL)(O=C(O1)C(=C)C)O)O
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: QSAR predicted value: The substance is within the applicability domain of the model.
- Temp.:
- 25 °C
- Vapour pressure:
- 0 mm Hg
- Remarks on result:
- other: QSAR predicted value: The substance is within the applicability domain of the model.
- Conclusions:
- Using MPBPVPWIN v1.43 the vapour pressure of the test item was calculated to be 7.18E-9 Pa at 25 °C. The substance is within the applicability domain of the model.
- Executive summary:
The vapour pressure was calculated using MBBPWIN v1.43 as part of EPISuite v4.11 from US Environmental Protection Agency.
Using using MBBPWIN v1.43 the vapour pressure of the test item was calculated to be 7.18E-9 Pa at 25 °C (EPI Suite, 2014).
The adequacy of a prediction depends on the following conditions:
a) the (Q)SAR model is scientifically valid: the scientific validity is established according to the OECD principles for (Q)SAR validation;
b) the (Q)SAR model is applicable to the query chemical: a (Q)SAR is applicable if the query chemical falls within the defined applicability domain of the model;
c) the (Q)SAR result is reliable: a valid (Q)SAR that is applied to a chemical falling within its applicability domain provides a reliable result;
d) the (Q)SAR model is relevant for the regulatory purpose.
For assessment and justification of these 4 requirements the QMRF and QPRF files were developed and attached to this study record.
Description of the prediction Model
The prediction model was descripted using the harmonised template for summarising and reporting key information on (Q)SAR models. For more details please refer to the attached QSAR Model Reporting Format (QMRF) file.
Assessment of estimation domain
The assessment of the estimation domain was documented in the QSAR Prediction Reporting Format file (QPRF). Please refer to the attached document for the details of the prediction and the assessment of the estimation domain.
- Endpoint:
- vapour pressure
- Type of information:
- other: publication
- Adequacy of study:
- supporting study
- Study period:
- 2005
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The test method was not reported.
- GLP compliance:
- no
- Type of method:
- other: not specified
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 44 hPa
- Conclusions:
- The vapour pressure of isopropanol was stated to be 44 hPa at 20 °C.
- Endpoint:
- vapour pressure
- Type of information:
- other: publication
- Adequacy of study:
- supporting study
- Study period:
- 1985
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The test method is not specified.
- GLP compliance:
- no
- Type of method:
- other: not specified
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 240 hPa
- Conclusions:
- The vapour pressure of acetone was stated to be 240 hPa and 20 °C.
- Endpoint:
- vapour pressure
- Type of information:
- other: publication
- Adequacy of study:
- supporting study
- Study period:
- 2003
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The test method is not specified.
- GLP compliance:
- no
- Type of method:
- other: not specified
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 2.339 kPa
- Conclusions:
- The vapour pressure of water at 20 °C was published to be 2.3388 kPa.
- Endpoint:
- vapour pressure
- Type of information:
- other: publication
- Adequacy of study:
- supporting study
- Study period:
- 2000
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Test method is not specified.
- GLP compliance:
- no
- Type of method:
- other: not specified
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0.09 kPa
- Conclusions:
- The vapour pressure if Methacrylatic acid was stated to be 0.09 kPa at 20 °C.
Referenceopen allclose all
MPBPVP (v1.43) Program Results:
===============================
Experimental Database Structure Match: no data
SMILES : CL[Cr]1(CL)(O[Cr](CL)(CL)(O=C(O1)C(=C)C)O)O
CHEM :
MOL FOR: C4 H7 CL4 O5 Cr2
MOL WT : 380.90
------------------------ SUMMARY MPBVP v1.43 --------------------
Boiling Point: 451.84 deg C (Adapted Stein and Brown Method)
Melting Point: 277.28 deg C (Adapted Joback Method)
Melting Point: 150.17 deg C (Gold and Ogle Method)
Mean Melt Pt : 213.72 deg C (Joback; Gold,Ogle Methods)
Selected MP: 175.59 deg C (Weighted Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 451.84 deg C (estimated))
(Using MP: 175.59 deg C (estimated))
VP: 1.77E-012 mm Hg (Antoine Method) : 2.36E-010 Pa (Antoine Method)
VP: 5.39E-011 mm Hg (Modified Grain Method) : 7.18E-009 Pa (Modified Grain Method)
VP: 3.01E-008 mm Hg (Mackay Method) : 4.01E-006 Pa (Mackay Method)
Selected VP: 5.39E-011 mm Hg (Modified Grain Method) : 7.18E-009 Pa (Modified Grain Method)
Subcooled liquid VP: 1.97E-009 mm Hg (25 deg C, Mod-Grain method) : 2.62E-007 Pa (25 deg C, Mod-Grain method)
Description of key information
Technically not feasible.
Key value for chemical safety assessment
Additional information
In accordance with section 2 of REACH Annex XI, the vapour pressure study does not need to be performed when the substance is not stable. The test item consists of a main component with several solvents which are complexometrically bonded to the main component. The main component is not stable without the solvents. In a vapour pressure study the vapour pressure of the different solvents will be determined. Therefore, the study is technically not feasible.
Additionally, using MPBPVPwin v1.43 as part of EPISuite v4.11 from US Environmental Protection Agency the theoretical vapour of the test item was calculated to be 7.18E-9 Pa. As supporting information literature values of the vapour pressure of the test items components were included.
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.
![ECHA](/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/echa_logo.png)