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Physical & Chemical properties

Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key 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 QPRF/QMRF documentation for detailed information on model suitability.
Qualifier:
according to guideline
Guideline:
other: REACH guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
Version / remarks:
May 2008
Principles of method if other than guideline:
QSAR prediction using MPBVP v1.43.

GLP compliance:
no
Type of method:
other: QSAR prediction MPBVP v1.43
Specific details on test material used for the study:
SMILES : O=C(OO)c(cccc1CL)c1 C
MOL FOR: C7 H5 CL1 O3
MOL WT : 172.57
Key result
Temp.:
25 °C
Vapour pressure:
0.003 mm Hg
Remarks on result:
other: QSAR prediction MPBVP v1.43
Remarks:
(Modified Grain Method)
Key result
Temp.:
25 °C
Vapour pressure:
0.373 Pa
Remarks on result:
other: QSAR prediction MPBVP v1.43
Remarks:
(Modified Grain Method)
Temp.:
25 °C
Vapour pressure:
0.003 mm Hg
Remarks on result:
other: QSAR prediction MPBVP v1.43
Remarks:
(Antoine Method)
Temp.:
25 °C
Vapour pressure:
0.366 Pa
Remarks on result:
other: QSAR prediction MPBVP v1.43
Remarks:
(Antoine Method)
Temp.:
25 °C
Vapour pressure:
0.005 mm Hg
Remarks on result:
other: QSAR prediction MPBVP v1.43
Remarks:
(Mackay Method)
Temp.:
25 °C
Vapour pressure:
0.648 Pa
Remarks on result:
other: QSAR prediction MPBVP v1.43
Remarks:
Mackay Method)
Conclusions:
Vapour Pressure = 0.0.0028 mm Hg at 25°C (Modified Grain Method)
Vapour Pressure = 0.373 Pa at 25°C (Modified Grain Method)
Executive summary:

Vapour Pressure = 0.0.0028 mm Hg at 25°C (Modified Grain Method)

Vapour Pressure = 0.373 Pa at 25°C (Modified Grain Method)

Description of key information

Vapour pressure based on (Q)SAR calculation was 0.373 Pa at 25°C

Key value for chemical safety assessment

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

Additional information