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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 [μ-[[3,3'-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material : [μ-[[3,3'-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt
- Molecular weight : 1101.8036 g/mol
- Smiles notation : [Na+].[Na+].[Na+].[Na+].O=N(=Nc1ccc2N=Nc3c4O[Cu-2]5(Oc2c1)OS(=O)(=O)c6ccc4c(c6)cc3S(=O)(=O)O5)c7ccc8N=Nc9c%10O[Cu-2]%11(Oc8c7)OS(=O)(=O)c%12ccc%10c(c%12)cc9S(=O)(=O)O%11
- InChl : 1S/C32H22N6O17S4.2Cu.4Na/c39-25-13-17(1-7-23(25)33-35-29-27(58(50,51)52)11-15-9-19(56(44,45)46)3-5-21(15)31(29)41)37-38(43)18-2-8-24(26(40)14-18)34-36-30-28(59(53,54)55)12-16-10-20(57(47,48)49)4-6-22(16)32(30)42;;;;;;/h1-14,39-42H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;;;;/q;2*+2;4*+1/p-8/b35-33+,36-34+,38-37+;;;;;;
- Substance type : Organic
- Physical state : Liquid
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
2 400 Pa
Remarks on result:
other: estimated data
Conclusions:
The estimated vapour pressure of [μ-[[3,3'-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt at 25 deg C was 2400 Pa.
Executive summary:

Modified Grain method was used to estimate the vapour pressure of [μ-[[3,3'-[azoxybis[(2 -hydroxy-p-phenylene)azo]]bis[4 -hydroxynaphthalene-2,7 -disulphonato]](8 -)]]dicopper, tetrasodium salt using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of [μ-[[3,3'-[azoxybis[(2 -hydroxy-p-phenylene)azo]]bis[4 -hydroxynaphthalene-2,7 -disulphonato]](8 -)]]dicopper, tetrasodium salt at 25 deg C was 2400 Pa.

Description of key information

The estimated vapour pressure of [μ-[[3,3'-[azoxybis[(2 -hydroxy-p-phenylene)azo]]bis[4 -hydroxynaphthalene-2,7 -disulphonato]](8 -)]]dicopper, tetrasodium salt at 25 deg C was 2400 Pa.

Key value for chemical safety assessment

Vapour pressure:
2 400 Pa
at the temperature of:
25 °C

Additional information

Modified Grain method was used to estimate the vapour pressure of [μ-[[3,3'-[azoxybis[(2 -hydroxy-p-phenylene)azo]]bis[4 -hydroxynaphthalene-2,7 -disulphonato]](8 -)]]dicopper, tetrasodium salt using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of [μ-[[3,3'-[azoxybis[(2 -hydroxy-p-phenylene)azo]]bis[4 -hydroxynaphthalene-2,7 -disulphonato]](8 -)]]dicopper, tetrasodium salt at 25 deg C was 2400 Pa.