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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:
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.

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.