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EC number: 210-540-0 | CAS number: 618-03-1
Vapour pressure
Administrative data
Link to relevant study record(s)
- 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 and authoritative database
- Qualifier:
- according to guideline
- 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 2-aminotoluene-4-sulphonic acid
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- Specific details on test material used for the study:
- - Name of test material: 2-aminotoluene-4-sulphonic acid
- IUPAC name: 2-aminotoluene-4-sulphonic acid
- Molecular formula: C7H9NO3S
- Molecular weight: 187.218 g/mole
- Smiles :O=S(=O)(O)c1ccc(c(N)c1)C
- Inchl: 1S/C7H9NO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
- Substance type: Organic
- Physical state: Solid powder (white to pinkish white) - 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 2-aminotoluene-4-sulphonic acid at 25 deg C was 9.43E-006 Pa.
- Executive summary:
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test substance 2-aminotoluene-4-sulphonic acid using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the test substance 2-aminotoluene-4-sulphonic acid at 25 deg C was 9.43E-006 Pa.
Reference
Description of key information
The estimated vapour pressure of the test substance 2-aminotoluene-4-sulphonic acid at 25 deg C was 9.43E-006 Pa.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test substance 2-aminotoluene-4-sulphonic acid using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the test substance 2-aminotoluene-4-sulphonic acid at 25 deg C was 9.43E-006 Pa.
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