Methyl 3-α,7-α-diacetoxy-12-α-hydroxy-5-β-cholan-24-oate

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: The value has been calculated by ACD/Labs’ ACD/PhysChem Suite available on ChemSpider Database website and moreover it is consistent with the experimental melting point value.

Data source

Reference

Reference Type:

secondary source

Title:

No information

Year:

2013

Bibliographic source:

ChemSpider database

Materials and methods

Principles of method if other than guideline:

The value has been estimated by ACD/Labs’ ACD/PhysChem Suite.

GLP compliance:

not specified

Type of method:

other: Estimation by software

Test material

Test material information

Constituent 1

Reference substance name:

Methyl 3-α,7-α-diacetoxy-12-α-hydroxy-5-β-cholan-24-oate

EC Number:

223-151-6

EC Name:

Methyl 3-α,7-α-diacetoxy-12-α-hydroxy-5-β-cholan-24-oate

Cas Number:

3749-87-9

Molecular formula:

C29H46O7

IUPAC Name:

methyl 3-α,7-α-diacetoxy-12-α-hydroxy-5-β-cholan-24-oate

Results and discussion

Boiling point

Boiling pt.:

561.042 °C

Atm. press.:

760 mm Hg

Applicant's summary and conclusion

Conclusions:

The predicted boiling point value is 561.042°C at 760 mmHg.