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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:
accepted calculation method
Justification for type of information:
data is from modelling database
Qualifier:
according to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the vapour pressure of 5-methyl-3-phenylisoxazole-4-carbonyl chloride
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material : 5-methyl-3-phenylisoxazole-4-carbonyl chloride
- Molecular formula : C11H8ClNO2
- Molecular weight : 221.642 g/mol
- Smiles notation : c1(ccccc1)c1c(C(=O)Cl)c(on1)C
- InChl : 1S/C11H8ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3
- Substance type: Organic
- Physical state: Solid
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0.007 Pa
Remarks on result:
other: Estimated data
Conclusions:
The estimated vapour pressure of 5-methyl-3-phenylisoxazole-4-carbonyl chloride at 25 deg C was 0.00652 Pa
Executive summary:

Modified Grain method was used to estimate the vapour pressure of 5-methyl-3-phenylisoxazole-4-carbonyl chloride using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of 5-methyl-3-phenylisoxazole-4-carbonyl chloride at 25 deg C was 0.00652 Pa.

Description of key information

The estimated vapour pressure of 5-methyl-3-phenylisoxazole-4-carbonyl chloride at 25 deg C was 0.00652 Pa

Key value for chemical safety assessment

Vapour pressure:
0.007 Pa
at the temperature of:
25 °C

Additional information

Modified Grain method was used to estimate the vapour pressure of 5-methyl-3-phenylisoxazole-4-carbonyl chloride using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of 5-methyl-3-phenylisoxazole-4-carbonyl chloride at 25 deg C was 0.00652 Pa.