Registration Dossier
Registration Dossier
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EC number: 202-334-4 | CAS number: 94-46-2
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:
- data from handbook or collection of data
- Justification for type of information:
- data is from handbooks
- Qualifier:
- according to guideline
- Guideline:
- other: Antonine Method
- Principles of method if other than guideline:
- To determine the vapour pressure of Isopentyl Benzoate according to Antoine equation
- GLP compliance:
- not specified
- Type of method:
- other: calculated data
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Isopentyl Benzoate
- Molecular formula: C12H16O2
- Molecular weight : 192.256 g/mol
- Smiles notation: c1(C(OCCC(C)C)=O)ccccc1
- InChl : 1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
- Substance type: organic
- Physical state: Liquid - Key result
- Test no.:
- #1
- Temp.:
- 66 °C
- Vapour pressure:
- 100.028 Pa
- Remarks on result:
- other: calculated data
- Test no.:
- #2
- Temp.:
- 261.4 °C
- Vapour pressure:
- 99 989.183 Pa
- Remarks on result:
- other: calculated data
- Conclusions:
- The calculated vapor pressure of isopentyl benzoate was 100.0283 Pa at 66 deg C;99989.183 Pa at 261.40 deg C
- Executive summary:
The Antoine Coefficients and Antoine equation were used to calculate the vapour pressure of isopentyl benzoate. The calculated vapor pressure of isopentyl benzoate was 100.0283 Pa at 66 deg C;99989.183 Pa at 261.40 deg C
Reference
Description of key information
The Antoine Coefficients and Antoine equation were used to calculate the vapour pressure of isopentyl benzoate. The calculated vapor pressure of isopentyl benzoate was 100.0283 Pa at 66 deg C;99989.183 Pa at 261.40 deg C
Key value for chemical safety assessment
- Vapour pressure:
- 100.028 Pa
- at the temperature of:
- 66 °C
Additional information
The Antoine Coefficients and Antoine equation were used to calculate the vapour pressure of isopentyl benzoate. The calculated vapor pressure of isopentyl benzoate was 100.0283 Pa at 66 deg C;99989.183 Pa at 261.40 deg C.
Data from handbooks and authoritative database suggests that the vapor pressure of isopentyl benzoate at 25 deg C was 18.9 Pa
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