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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:
other: estimated data
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the vapour pressure of Castor oil, sulfated
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material : Castor oil, sulfated
- Molecular formula : C57H104O18S3.Na3
- Molecular weight : 1239.5749 g/mol
- Smiles notation : CCCCCCC(C/C=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=CCC(CCCCCC)OS(=O)(=O)O{-}.[Na]{+})OC(=O)CCCCCCC/C=CCC(CCCCCC)OS(=O)(=O)O{-}.[Na]{+})OS(=O)(=O)O{-}.[Na]{+}
- InChl : 1S/C57H104O18S3.3Na/c1-4-7-10-31-40-51(73-76(61,62)63)43-34-25-19-13-16-22-28-37-46-55(58)70-49-54(72-57(60)48-39-30-24-18-15-21-27-36-45-53(75-78(67,68)69)42-33-12-9-6-3)50-71-56(59)47-38-29-23-17-14-20-26-35-44-52(74-77(64,65)66)41-32-11-8-5-2;;;/h25-27,34-36,51-54H,4-24,28-33,37-50H2,1-3H3,(H,61,62,63)(H,64,65,66)(H,67,68,69);;;/q;3*+1/p-3/b34-25-,35-26-,36-27-;;;
- Substance type : Organic
- Physical state : Liquid
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other: Estimated data
Conclusions:
The estimated vapour pressure of Castor oil, sulfated (CAS no.8002-33-3) at 25 deg C was 4.15E-34 Pa.
Executive summary:

Modified Grain method was used to estimate the vapour pressure of Castor oil, sulfated (CAS no. 8002 -33 -3) using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of Castor oil, sulfated (CAS no. 8002 -33 -3) at 25 deg C was 4.15E-34 Pa.

Description of key information

The estimated vapour pressure of Castor oil, sulfated (CAS no.8002-33-3) at 25 deg C was 4.15E-34 Pa.

Key value for chemical safety assessment

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

Additional information

Modified Grain method was used to estimate the vapour pressure of Castor oil, sulfated (CAS no. 8002 -33 -3) using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of Castor oil, sulfated (CAS no. 8002 -33 -3) at 25 deg C was 4.15E-34 Pa.