Registration Dossier
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EC number: 279-420-3 | CAS number: 80206-82-2
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- 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:
- QSAR prediction: US EPA accepted QSAR method for organic chemicals properties assessment.
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR data
- Principles of method if other than guideline:
- Estimation: EPI Suite (Mean or Weighted MP) , MPBPWIN (v.1.43)
- GLP compliance:
- no
- Remarks:
- not applicable to QSAR models
- Type of method:
- other: QSAR
- Melting / freezing pt.:
- 29.19 °C
- Atm. press.:
- 1 other: atm
- Decomposition:
- no
- Sublimation:
- no
- Remarks on result:
- other: The exact atmospheric pressure at which this result was determined is not stated, but may be assumed to be within the normal range of standard pressure.
- Melting / freezing pt.:
- 12.66 °C
- Atm. press.:
- 1 atm
- Decomposition:
- no
- Sublimation:
- no
- Remarks on result:
- other: According Adapted Joback Method
- Conclusions:
- Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Melting Point of 12.66 deg C was established according Adapted Joback Method
Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Melting Point of 29.19 deg C (Mean Value) was established. - Executive summary:
Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Melting Point of 12.66 deg C was established according Adapted Joback Method
Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Melting Point of 29.19 deg C (Mean Value) was established.
Reference
Overview of QSARs estimationson melting/freezing point of Alcohols, C12-14
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
45.72 oC (Gold and Ogle method); 12.66 oC (adapted Joback Method); 29.19 deg C (Joback; Gold,Ogle Methods)
Selected MP: 29.19 deg C (Mean Value)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
Description of key information
Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Melting Point of 29.19 deg C (Mean Value) was established.
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 29.19 °C
Additional information
Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Melting Point of 29.19 deg C (Mean Value) was established.
Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Melting Point of 12.66 deg C was established according Adapted Joback Method.
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