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Boiling point

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boiling point
Type of information:
Adequacy of study:
supporting study
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction
other: REACH Guidance on (Q)SAR
Principles of method if other than guideline:
Adapted Stein and Brown Method
Type of method:
other: (Q)SAR
Boiling pt.:
261.23 °C

MPBPVP (v1.43) Program Results:

See attachment in Attached background material for more details.

Boiling Point: 261.23 deg C (Adapted Stein and Brown Method)

Description of key information

291.7 +/-25°C - Calculated using Advanced Chemistry Development Software V11.02 (1994 -2018 ACD/Labs)
261.23°C (EPIWEB 4.11 Adapted Stein and Brown Method

Experimental boiling point : 136 -138°C @ 4 Torr (McElvain, S.M.; Journal of the American Chemical Society 1924, V46, P1721 -7 CAPLUS)

Experimental boiling point : 148 -150°C @ 20 Torr (Dobrowsky, A.; Monatshefte fuer Chemie 1952, V83, P443 -7 CAPLUS)

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
261.23 °C

Additional information

Both calculated / estimated values are closed and estimation is so considered to be reliable.

The data is in line with the experimental values.