Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Vapour pressure

Currently viewing:

Administrative data

Link to relevant study record(s)

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:
To estimate the vapour pressure of the test substance 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6 -[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid (CAS no. 94022-69-2) using OPERA V1.02
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material: 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid
- IUPAC name: 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid
- Molecular formula: C60H40Cl2N14O26S8
- Molecular weight: 1700.482 g/mole
- Smiles c1ccc2c(c1)ccc(c2S(=O)(=O)O)/N=N/c3c(cc4cc(cc(c4c3O)Nc5nc(nc(n5)Cl)Nc6ccc(c(c6)S(=O)(=O)O)/C=C/c7c(cccc7S(=O)(=O)O)Nc8nc (nc(n8)Cl)Nc9cc(cc1c9c(c(c(c1)S(=O)(=O)O)/N=N/c1ccc2ccccc2c1S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
- Inchl: 1S/C60H40Cl2N14O26S8/c61-55-67-57(71-59(69-55)65-41-25-33(103(79,80)81)20-30-22-45(107(91,92)93)49(51(77)47(30)41)75-73-39-18-14-27-6-1-3-8-35(27)53(39)109(97,98)99)63-32-16-12-29(44(24-32)106(88,89)90)13-17-37-38(10-5-11-43(37)105(85,86)87)64-58-68-56(62)70-60(72-58)66-42-26-34(104(82,83)84)21-31-23-46(108(94,95)96)50(52(78)48(31)42)76-74-40-19-15-28-7-2-4-9-36(28)54(40)110(100,101)102/h1-26,77-78H,(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H2,63,65,67,69,71)(H2,64,66,68,70,72)/b17-13+,75-73+,76-74+
- Substance type: Organic
- Physical state: Solid
Key result
Test no.:
#1
Vapour pressure:
0.001 Pa
Remarks on result:
other: (5.96e-06 mmHg)
Conclusions:
The estimated vapour pressure of the test substance 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6 -[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid (CAS no. 94022-69-2) was 0.000794 Pa (5.96e-06 mmHg).
Executive summary:

The vapour pressure of the test substance 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]] bis[5-hydroxy-6 -[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid (CAS no. 94022-69-2 was estimated using OPERA V1.02.

The estimated vapour pressure of the test substance 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]] bis[5-hydroxy-6 -[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid (CAS no. 94022-69-2) was 0.000794 Pa (5.96e-06 mmHg).

Description of key information

The estimated vapour pressure of the test substance 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl) imino]]bis[5-hydroxy-6 -[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid (CAS no. 94022-69-2) was 0.000794 Pa (5.96e-06 mmHg).

Key value for chemical safety assessment

Vapour pressure:
0.001 Pa

Additional information

The vapour pressure of the test substance 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]] bis[5-hydroxy-6 -[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid (CAS no. 94022-69-2 was estimated using OPERA V1.02.

The estimated vapour pressure of the test substance 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]] bis[5-hydroxy-6 -[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid (CAS no. 94022-69-2) was 0.000794 Pa (5.96e-06 mmHg).