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Physical & Chemical properties

Boiling point

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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. Reaction mass of O-isopropyl ethylthiocarbamate (98%) and n-butanol (1%) and propan-2-ol (1%)
Qualifier:
no guideline followed
Principles of method if other than guideline:
not applicable. QSAR model
GLP compliance:
no
Remarks:
not applicable. QSAR model
Type of method:
other: not applicable. QSAR model
Boiling pt.:
187.17 °C
Atm. press.:
0.68 mm Hg
Decomposition:
no
Remarks:
no data provided by method

Overview of QSARs estimations on Boiling Point of O-isopropyl ethylthiocarbamate (IPETC)

 

Method

 

Results

Remarks

Reference

QSAR estimate

Boiling Point: 187.17 deg C (Adapted Stein and Brown Method)

 

Vapor Pressure Estimations (25 deg C):

 VP: 0.742 mm Hg (Antoine Method)

     : 98.9 Pa (Antoine Method)

VP: 0.619 mm Hg (Modified Grain Method) : 82.6 Pa (Modified Grain Method)

VP: 0.978 mm Hg (Mackay Method)

     : 130 Pa (Mackay Method)

Selected VP: 0.68 mm Hg (Mean of Antoine & Grain methods)

  : 90.7 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 187.17 deg C (estimated) was established.
Executive summary:
Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Boiling Point of 187.17 deg C (estimated) was established.

Description of key information

Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Boiling Point of 187.17 deg C (estimated)  was established.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
187.17 °C

Additional information

Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Boiling Point of 187.17 deg C (estimated) was established.