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Physical & Chemical properties

Vapour pressure

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Reference
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.

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.