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Diss Factsheets

Physical & Chemical properties

Boiling point

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
not applicable
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 model (Estimation: EPI Suite (Adapted Stein & Brown method))
Principles of method if other than guideline:
QSAR model (Estimation: EPI Suite (Adapted Stein & Brown method))
GLP compliance:
no
Remarks:
not applicable. QSAR model
Type of method:
other: not applicable. QSAR model
Boiling pt.:
272.96 °C
Atm. press.:
1 other: atm
Decomposition:
no
Remarks:
no data provided by method
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.

Overview of QSARs estimations on Boiling Point of Alcohols, C12-14

 

Method

 

Results

Remarks

Reference

QSAR estimate

Boiling Point: 272.96deg C (Adapted Stein and Brown Method)

Vapor Pressure Estimations (25 deg C):

 (Using BP: 259.00 deg C (exp database))

 (MP not used for liquids)

   VP: 0.00182 mm Hg (Antoine Method)

     : 0.243 Pa (Antoine Method)

   VP: 0.00181 mm Hg (Modified Grain Method)

     : 0.241 Pa (Modified Grain Method)

   VP: 0.03 mm Hg (Mackay Method)

     : 3.99 Pa (Mackay Method)

 Selected VP: 0.00181 mm Hg (Mean of Antoine & Grain methods) : 0.242 Pa (Mean of Antoine & Grain methods)

Valid with restrictions (2); QSAR method;

Estimated values

MPBPWIN (v.1.43)
Conclusions:
Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Boiling Point of 272.96 deg C (estimated) was established.
Executive summary:

Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Boiling Point of 272.96 deg C (estimated) was established.

Description of key information

Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Boiling Point of 272.96 deg C (estimated) was established.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
272.96 °C

Additional information

Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Boiling Point of 272.96 deg C (estimated) was established.