Chemical Properties of Cholesteryl methyl carbonate (CAS 15507-52-5)

InChI

InChI=1S/C29H48O3/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(32-27(30)31-6)14-16-28(21,4)26(23)15-17-29(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,28+,29-/m0/s1

InChI Key

WHMGDIMLSAAHJQ-FOBBRWMUSA-N

Formula

C29H48O3

SMILES

COC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1

Molecular Weight¹

444.69

CAS

15507-52-5

Other Names

• Carbonic acid, cholesteryl methyl ester
• Cholest-5-en-3-ol (3«beta»)-, methyl carbonate
• Cholesterol, methyl carbonate
• Cholest-5-en-3«beta»-yl-methyl carbonate

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	[1470.42; 1680.28]	J/mol×K	[999.67; 1230.22]
Cp,gas	1470.42	J/mol×K	999.67	Joback Calculated Property
Cp,gas	1503.00	J/mol×K	1038.10	Joback Calculated Property
Cp,gas	1536.10	J/mol×K	1076.52	Joback Calculated Property
Cp,gas	1570.05	J/mol×K	1114.95	Joback Calculated Property
Cp,gas	1605.18	J/mol×K	1153.37	Joback Calculated Property
Cp,gas	1641.82	J/mol×K	1191.80	Joback Calculated Property
Cp,gas	1680.28	J/mol×K	1230.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cholesteryl methyl carbonate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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