Registration Dossier
Registration Dossier
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EC number: 211-443-6 | CAS number: 645-45-4
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
- Justification for type of information:
- data is from modelling database
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- MPBPVP v1.43 was used to estimate the vapour pressure of the 3-phenylpropanoyl chloride
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- Specific details on test material used for the study:
- - Name of test material : 3-phenylpropanoyl chloride- Molecular formula : C9H9ClO- Molecular weight : 168.622 g/mol- Smiles notation : c1cc(CCC(Cl)=O)ccc1- InChl : MFEILWXBDBCWKF-UHFFFAOYSA-N- Substance type: Organic- Physical state: Liquid
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 6.893 Pa
- Remarks on result:
- other: No other data available
- Conclusions:
- The estimated vapour pressure of the 3-phenylpropanoyl chloride at 25deg C was 6.8927 Pa.
- Executive summary:
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the 3-phenylpropanoyl chloride using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the 3-phenylpropanoyl chloride at 25deg C was 6.8927 Pa.
Reference
Description of key information
The estimated vapour pressure of the 3-phenylpropanoyl chloride at 25 deg C was 6.8927 Pa.
Key value for chemical safety assessment
- Vapour pressure:
- 6.893 Pa
- at the temperature of:
- 25 °C
Additional information
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the 3-phenylpropanoyl chloride using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the 3-phenylpropanoyl chloride at 25deg C was 6.8927 Pa.
Other reliable source gives the vapour pressure of the 3 -phenylpropanoyl chloride is 8.0793 Pa at 25 Deg C.
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