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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:
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 the test substance.
GLP compliance:
no
Type of method:
other: estimated data
Specific details on test material used for the study:
Name of the test chemical: 4-[[5-(anilino)carbonyl-2-methoxyphenyl]azo]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
IUPAC name: 3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-N-(3-nitrophenyl)-2-naphthamide
Common Name: C. I Pigment Red 31
Molecular formula: C31 H23 N5 O6
Molecular weight: 561.56 g/mol
SMILES notation: C(=O)(c1c(O)c(N=Nc2c(OC)ccc(C(=O)Nc3ccccc3)c2)c2c(cccc2)c1)Nc1cc(N(=O)=O)ccc1
InChI: 1S/C31H23N5O6/c1-42-27-15-14-20(30(38)32-21-9-3-2-4-10-21)17-26(27)34-35-28-24-13-6-5-8-19(24)16-25(29(28)37)31(39) 33-22-11-7-12-23(18-22)36(40)41/h2-18,37H,1H3,(H,32,38)(H,33,39)/b35-34+
Substance type: Organic
Physical state: Solid Powder
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other: estimated value
Conclusions:
The estimated vapour pressure of the test substance at 25 deg C was 1.93E-021 Pa.
Executive summary:

Modified Grain method was used to estimate the vapour pressure of the test substance using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of the test substance at 25 deg C was 1.93E-021 Pa.

Description of key information

The estimated vapour pressure of the test substance at 25 deg C was 1.93E-021 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 the test substance using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of the test substance at 25 deg C was 1.93E-021 Pa.