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EC number: 225-245-2 | CAS number: 4736-60-1
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting 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
2. MODEL (incl. version number)
MPBPWIN v1.40
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : c1ccc(cc1)P(c2ccccc2)(c3ccccc3)(CC)I
CAS-No. 4736-60-1
MOL FOR: C20 H20 I1 P1
MOL WT : 418.26
MP: 167°C, literature data
BP: 450°C, calculated by model MPBPWIN v1.40, Adapted Stein and Brown Method
Name : Ethyltriphenylphosphonium iodide
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
- Model(s) used: MPBPWIN v1.40
- 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 v1.40, Modified Grain Method
- Conclusions:
- The vapour pressure of the substance was calculated to be 0.00000225 Pa at 25°C.
Reference
Vapor Pressure Estimations (25 deg C): (Using BP: 450.00 deg C (user entered, literature data)) (Using MP: 167.00 deg C (user entered, literature data))
VP: 1.17E-009 mm Hg (Antoine Method)
VP: 1.69E-008 mm Hg (Modified Grain Method)
VP: 4.06E-008 mm Hg (Mackay Method)
Selected VP: 1.69E-008 mm Hg = 2.25E-6 Pa(Modified Grain Method)
Description of key information
0.000323 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)
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