Chemical Properties of Cholan-24-oic acid, 3,6,7-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,6«alpha»,7«alpha»)- (CAS 2616-70-8)

InChI

InChI=1S/C31H48O8/c1-17(8-11-26(35)36-7)22-9-10-23-27-24(13-15-30(22,23)5)31(6)14-12-21(37-18(2)32)16-25(31)28(38-19(3)33)29(27)39-20(4)34/h17,21-25,27-29H,8-16H2,1-7H3

InChI Key

SCZJGLWPRVUGAT-UHFFFAOYSA-N

Formula

C31H48O8

SMILES

COC(=O)CCC(C)C1CCC2C3C(OC(C)=O)C(OC(C)=O)C4CC(OC(C)=O)CCC4(C)C3CCC12C

Molecular Weight¹

548.71

CAS

2616-70-8

Other Names

• Methyl 3,6,7-tris(acetyloxy)cholan-24-oate-, (3«alpha»,5«beta»,6«alpha»,7«alpha»)-
• Hyocholic acid, tris-acetatyloxy, methyl ester
• Hyocholic acid, acetate-methyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1827.98; 2123.59]	J/mol×K	[1234.17; 1518.97]
Cp,gas	1827.98	J/mol×K	1234.17	Joback Calculated Property
Cp,gas	1870.45	J/mol×K	1281.64	Joback Calculated Property
Cp,gas	1914.97	J/mol×K	1329.10	Joback Calculated Property
Cp,gas	1962.05	J/mol×K	1376.57	Joback Calculated Property
Cp,gas	2012.18	J/mol×K	1424.04	Joback Calculated Property
Cp,gas	2065.86	J/mol×K	1471.51	Joback Calculated Property
Cp,gas	2123.59	J/mol×K	1518.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cholan-24-oic acid, 3,6,7-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,6«alpha»,7«alpha»)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.