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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2017-12-08
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

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : c1ccc(cc1)P(c2ccccc2)(c3ccccc3)(CCCC)Br
CAS-No. 1779-51-7
MOL FOR: C22 H24 Br1 P1
MOL WT : 399.31
BP: 456.58 deg C (estimated, Adapted Stein and Brown Method)
MP: 243 °C (user entered, measured value)

Name : n-Butyltriphenylphosphonium bromide

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
For detailed information about the used model please refer to the attached justification.

5. APPLICABILITY DOMAIN
For detailed information about the used model please refer to the attached justification.

6. ADEQUACY OF THE RESULT
For detailed information about the used model please refer to the attached justification.
Qualifier:
no guideline followed
Principles of method if other than guideline:
Software tool(s) used including version: The Estimation Programs Interface (EPI) SuiteTM v4.11
- Model(s) used: MPBPWIN v1.43 (September 2010)
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
no
Type of method:
other: QSAR
Key result
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other: MPBVP v1.43, Modified Grain Method

Vapor Pressure Estimations (25 deg C):  (Using BP: 456.58 deg C (estimated, Adapted Stein and Brown Method) (Using MP: 243.00 deg C (user entered, measured value))    

VP:  8.5E-011 mm Hg (Antoine Method); 1.13E-008 Pa  (Antoine Method)

VP:  1.47E-009 mm Hg (Modified Grain Method); 1.96E-007 Pa  (Modified Grain Method)

VP:  4.94E-009 mm Hg (Mackay Method); 6.58E-007 Pa  (Mackay Method)

Selected VP:   1.47E-009 mm Hg (Modified Grain Method); 1.96E-007 Pa (Modified Grain Method)

 

Conclusions:
The vapour pressure of n-Butyltriphenylphosphonium bromide was calculated to be 1.96E-007 Pa at 25°C.

Description of key information

vapour pressure: 1.96E-007 Pa at 25°C

Key value for chemical safety assessment

Vapour pressure:
0 Pa
at the temperature of:
25 °C

Additional information

Calculation using EPI Suite model MPBPVP v1.43 (Modified Grain Method)