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EC number: 205-181-1 | CAS number: 135-16-0
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPISUITE v4.11
2. MODEL (incl. version number)
MPBPWIN v1.43 (September 2010)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES: C1C(NC2=C(N1)NC(=NC2(=O))N)CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O
CAS: 135-16-0
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: Vapour pressure
- Unambiguous algorithm: see 'attached justification'
- Defined domain of applicability: see 'attached justification'
- Appropriate measures of goodness-of-fit and robustness and predictivity: see 'attached justification'
- Mechanistic interpretation: see 'attached justification'
5. APPLICABILITY DOMAIN
- Descriptor domain: molecular weight
- Similarity with analogues in the training set: see 'attached justification'
6. ADEQUACY OF THE RESULT
see 'attached justification' - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- - Software tool(s) used including version:
EPISUITE v4.11
- Model(s) used: MPBPWIN v1.43 (September 2010)
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- no
- Type of method:
- other: QSAR prediction
- Key result
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- According a QSAR prediction performed with EPISuite software using the MPBPWIN model the vapour pressure of Tetrahydrofolic acid is 1.88E-017 Pa at 25°C.
Reference
Description of key information
Vapour pressure: 1.88E-017 Pa at 25°C (EPISuite software using the MPBPWIN model)
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
According a QSAR prediction performed with EPISuite software using the MPBPWIN model the vapour pressure of Tetrahydrofolic acid is 1.88E-017 Pa at 25°C.
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