Chemical Properties of Cholestan-3-ol, 4-methyl-, (3«beta»,4«alpha»,5«alpha»)- (CAS 3903-57-9)

InChI

InChI=1S/C28H50O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-26,29H,7-17H2,1-6H3

InChI Key

AMNBDMZNFAQUHN-UHFFFAOYSA-N

Formula

C28H50O

SMILES

CC(C)CCCC(C)C1CCC2C3CCC4C(C)C(O)CCC4(C)C3CCC12C

Molecular Weight¹

402.70

CAS

3903-57-9

Other Names

• 4-Methylcholestan-3-ol-, (3«beta»,4«alpha»,5«alpha»)-
• 4-«alpha»-Methyl-5-«alpha»-cholestan-3-«beta»-ol

• 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).
• 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	[1421.94; 1622.89]	J/mol×K	[956.78; 1176.64]
Cp,gas	1421.94	J/mol×K	956.78	Joback Calculated Property
Cp,gas	1453.70	J/mol×K	993.42	Joback Calculated Property
Cp,gas	1485.75	J/mol×K	1030.07	Joback Calculated Property
Cp,gas	1518.38	J/mol×K	1066.71	Joback Calculated Property
Cp,gas	1551.92	J/mol×K	1103.35	Joback Calculated Property
Cp,gas	1586.65	J/mol×K	1140.00	Joback Calculated Property
Cp,gas	1622.89	J/mol×K	1176.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cholestan-3-ol, 4-methyl-, (3«beta»,4«alpha»,5«alpha»)-.

Sources

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

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