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Physical & Chemical properties

Vapour pressure

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Reference
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:
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

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