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Physical & Chemical properties

Boiling point

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Endpoint:
boiling point
Type of information:
calculation (if not (Q)SAR)
Remarks:
estimated by calculation
Adequacy of study:
weight of evidence
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
Qualifier:
no guideline required
Principles of method if other than guideline:
software V11.02
Type of method:
other: calculation
Boiling pt.:
> 275.6 - < 315.6
Atm. press.:
760 Torr
Remarks on result:
other: Calculation
Conclusions:
The boiling range of α,α,α',α'-tetramethyl-m-xylene-α,α'-diol is 275.6-315.6°C at 760 Torr.
Executive summary:

Calculation is not considering the possibility of degradation, which often occurs with organic compounds.

Endpoint:
boiling point
Type of information:
calculation (if not (Q)SAR)
Remarks:
estimated by calculation
Adequacy of study:
weight of evidence
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
Principles of method if other than guideline:
calculation
Type of method:
other: calculation
Boiling pt.:
295.11 °C
Remarks on result:
other: calculation
Conclusions:
Calculated bp is 295.11 oC. Calculation does not take possible decomposition into account.
Executive summary:

Calculated bp is 295.11 oC.  Calculation does not take possible decomposition into account.

Description of key information

The calculated boiling range of α,α,α',α'-tetramethyl-m-xylene-α,α'-diol is 275.6-315.6°C at 760 Torr.

Key value for chemical safety assessment

Additional information

Calculation is not considering the possibility of degradation, which often occurs with organic compounds.

Since a,a,a',a'-tetramethyl-m-xylene-a,a'-diol is a transported intermediate, no testing is required.

The two models calculate similar boiling points.