Chemical Properties of 3Beta-hydroxy-24beta-methyl-5alpha-cholest-14-ene, benzoate (CAS 6034-20-4)

InChI

InChI=1S/C35H52O2/c1-23(2)24(3)12-13-25(4)30-16-17-31-29-15-14-27-22-28(37-33(36)26-10-8-7-9-11-26)18-20-34(27,5)32(29)19-21-35(30,31)6/h7-11,17,23-25,27-30,32H,12-16,18-22H2,1-6H3

InChI Key

PXRZGKIPOGDNPV-UHFFFAOYSA-N

Formula

C35H52O2

SMILES

CC(C)C(C)CCC(C)C1CC=C2C3CCC4CC(OC(=O)c5ccccc5)CCC4(C)C3CCC21C

Molecular Weight¹

504.79

CAS

6034-20-4

• 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).
• 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	[1776.51; 2085.41]	J/mol×K	[1140.77; 1398.05]
Cp,gas	1776.51	J/mol×K	1140.77	Joback Calculated Property
Cp,gas	1820.18	J/mol×K	1183.65	Joback Calculated Property
Cp,gas	1866.28	J/mol×K	1226.53	Joback Calculated Property
Cp,gas	1915.33	J/mol×K	1269.41	Joback Calculated Property
Cp,gas	1967.85	J/mol×K	1312.29	Joback Calculated Property
Cp,gas	2024.37	J/mol×K	1355.17	Joback Calculated Property
Cp,gas	2085.41	J/mol×K	1398.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3Beta-hydroxy-24beta-methyl-5alpha-cholest-14-ene, benzoate.

Sources

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

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