Chemical Properties of Cholest-5-ene, 3«beta»-chloro- (CAS 910-31-6)

InChI

InChI=1S/C27H45Cl/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/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m0/s1

InChI Key

OTVRYZXVVMZHHW-HFRBDLMJSA-N

Formula

C27H45Cl

SMILES

CC(C)CCCC(C)C1CCC2C3CC=C4CC(Cl)CCC4(C)C3CCC12C

Molecular Weight¹

405.10

CAS

910-31-6

Other Names

• Cholesteryl chloride
• Cholest-5-ene, 3-chloro-, (3«beta»)-
• Cholesterol chloride
• 3«beta»-Chlorocholest-5-ene
• 3-Chlorocholestene
• 5-Cholesten-3«beta»-chloride
• 3-Chlorocholest-5-ene-, (3«beta»)-
• Cholest-5-ene, 3beta-chloro

• 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°	328.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-350.74	kJ/mol	Joback Calculated Property
ΔfusH°	36.33	kJ/mol	Joback Calculated Property
ΔvapH°	77.54	kJ/mol	Joback Calculated Property
log10WS	-8.89		Crippen Calculated Property
logPoct/wat	8.635		Crippen Calculated Property
McVol	355.790	ml/mol	McGowan Calculated Property
Pc	992.63	kPa	Joback Calculated Property
Inp	[3080.00; 3080.00]
Inp	3080.00		NIST
Inp	3080.00		NIST
Tboil	892.63	K	Joback Calculated Property
Tc	1119.74	K	Joback Calculated Property
Tfus	496.49	K	Joback Calculated Property
Vc	1.351	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1262.88; 1453.27]	J/mol×K	[892.63; 1119.74]
Cp,gas	1262.88	J/mol×K	892.63	Joback Calculated Property
Cp,gas	1293.40	J/mol×K	930.48	Joback Calculated Property
Cp,gas	1323.95	J/mol×K	968.33	Joback Calculated Property
Cp,gas	1354.86	J/mol×K	1006.18	Joback Calculated Property
Cp,gas	1386.49	J/mol×K	1044.03	Joback Calculated Property
Cp,gas	1419.18	J/mol×K	1081.89	Joback Calculated Property
Cp,gas	1453.27	J/mol×K	1119.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cholest-5-ene, 3«beta»-chloro-.

Sources

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

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