Chemical Properties of 5-«alpha»-Cholest-22-en-3-«beta»-ol, cis

InChI

InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,18-25,28H,7,9-17H2,1-5H3/b8-6-/t19?,20-,21-,22?,23?,24?,25?,26?,27?/m1/s1

InChI Key

BWGQUGBECNWWDB-VSSCPYPWSA-N

Formula

C27H46O

SMILES

CC(C)CC=CC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

Molecular Weight¹

386.65

• 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

Property	Value	Unit	Source
ΔfG°	255.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-436.66	kJ/mol	Joback Calculated Property
ΔfusH°	36.66	kJ/mol	Joback Calculated Property
ΔvapH°	88.53	kJ/mol	Joback Calculated Property
log10WS	-7.76		Crippen Calculated Property
logPoct/wat	7.245		Crippen Calculated Property
McVol	349.420	ml/mol	McGowan Calculated Property
Pc	1077.10	kPa	Joback Calculated Property
Inp	[3080.00; 3080.00]
Inp	3080.00		NIST
Inp	3080.00		NIST
Tboil	942.73	K	Joback Calculated Property
Tc	1165.42	K	Joback Calculated Property
Tfus	504.79	K	Joback Calculated Property
Vc	1.315	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1322.83; 1521.51]	J/mol×K	[942.73; 1165.42]
Cp,gas	1322.83	J/mol×K	942.73	Joback Calculated Property
Cp,gas	1353.67	J/mol×K	979.84	Joback Calculated Property
Cp,gas	1384.97	J/mol×K	1016.96	Joback Calculated Property
Cp,gas	1417.07	J/mol×K	1054.07	Joback Calculated Property
Cp,gas	1450.30	J/mol×K	1091.19	Joback Calculated Property
Cp,gas	1485.00	J/mol×K	1128.30	Joback Calculated Property
Cp,gas	1521.51	J/mol×K	1165.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-«alpha»-Cholest-22-en-3-«beta»-ol, cis.

Sources

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

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