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EC number: 200-798-2 | CAS number: 73-32-5
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:
- See "any other information on materials and methods" for justification.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR calculation
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Specific details on test material used for the study:
- Model: Epi Suite; MPBPVPWIN, v.1.42
CAS number and experimentally determined melting point of 285°C were used as input value for the QSAR. - Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 mm Hg
- Conclusions:
- VP: 6.95E-09 mm Hg.
The vapour pressure was calculated by EpiSuite's MPBPVP model. - Executive summary:
The vapour pressure was calculated by EpiSuite's MPBPVP model and found to be 6.95E-09 mm Hg. L-isoleucine is considered to be inside the applicability domain of the EpiSuite MPBPVP model since the following criteria are fulfilled (as described in the model's manual):
- the molecular weight of L-isoleucine is within the molecular weight range of the training set
- L-isoleucine has a limited number of functional groups
- all functional groups present in L-isoleucine are represented in the training set and have a fragment coëfficiënt available.
Reference
Description of key information
VP: 6.95E-09 mm Hg.
The vapour pressure was estimated by EpiSuite's MPBPVP model.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
The vapour pressure was calculated by EpiSuite's MPBPVP model and found to be 6.95E-09 mm Hg. L-isoleucine is considered to be inside the applicability domain of the EpiSuite MPBPVP model since the following criteria are fulfilled (as described in the model's manual):
- the molecular weight of L-isoleucine is within the molecular weight range of the training set
- L-isoleucine has a limited number of functional groups
- all functional groups present in L-isoleucine are represented in the training set and have a fragment coëfficiënt available.
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