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EC number: 227-645-2 | CAS number: 5921-65-3
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:
- 1. SOFTWARE
EPISuite 4.11
2. MODEL (incl. version number)
MPBPWIN (Version 1.43)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS Number: 5921-65-3
SMILES : c1(CCCCCCCCC)nc(N)nc(N)n1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Refer to attached document
5. APPLICABILITY DOMAIN
Refer to attached document
6. ADEQUACY OF THE RESULT
The substance is within the molecular weight range of the training set, estimation is based on measured values for melting and boiling point. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The vapour pressure of Caprinoguanamine was calculated using EPIWIN v4.00, MPBPVP v1.43
- GLP compliance:
- no
- Type of method:
- other: calculation
- Specific details on test material used for the study:
- SMILES : c1(CCCCCCCCC)nc(N)nc(N)n1
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Modified Grain method
- Temp.:
- 25 °C
- Vapour pressure:
- 0.001 Pa
- Remarks on result:
- other: Subcooled liquid; Modified Grain Method
- Conclusions:
- The vapour pressure of Caprinoguanamine was calculated using EPIWIN v4.00, MPBPVP v.1.43. The calculation yielded a vapour pressure of 0.000162 Pa (Modified Grain Method).
The substance is within the molecular weight range of the training set, estimation is based on measured values for melting and boiling point.
Reference
The vapour pressure of Caprinoguanamine was calculated using EPIWIN v4.00, MPBPVP v1.43.
The substance is within the molecular weight range of the training set, estimation is based on measured values for melting and boiling point.
Description of key information
The vapour pressure of Caprinoguanamine was calculated using EPIWIN v4.00, MPBPVP v.1.43. The calculation yielded a vapour pressure of 0.000162 Pa (1.62E-4) (Modified Grain Method).
The substance is within the molecular weight range of the training set, estimation is based on measured values for melting and boiling point.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
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