Chemical Properties of Cholestane (CAS 481-21-0)

InChI

InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25?,26+,27-/m0/s1

InChI Key

XIIAYQZJNBULGD-BTSBFKJRSA-N

Formula

C27H48

SMILES

CC(C)CCCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C

Molecular Weight¹

372.67

CAS

481-21-0

Other Names

• Cholestane, (5«alpha»)-
• 5«alpha»-Cholestane
• «alpha»-Cholestane
• 28,29,30-Trinorlanostane
• 10,13-Dimethyl-17-(1',5'-dimethylhexyl)-hexadecahydrocyclopenta(a)phenanthrene
• 5A-Cholestane, TMS
• 17-(1,5-Dimethylhexyl)-10,13-dimethyl-hexahydro-1H-cyclopenta[a]-phenanthrene (5-«alpha»-cholestane)

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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°	319.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-381.31	kJ/mol	Joback Calculated Property
ΔfusH°	31.30	kJ/mol	Joback Calculated Property
ΔsubH°	133.80	kJ/mol	NIST
ΔvapH°	72.20	kJ/mol	Joback Calculated Property
log10WS	-8.53		Crippen Calculated Property
logPoct/wat	8.498		Crippen Calculated Property
McVol	347.850	ml/mol	McGowan Calculated Property
Pc	1002.71	kPa	Joback Calculated Property
Inp	[2819.00; 2866.00]
Inp	2866.00		NIST
Inp	2857.00		NIST
Inp	2857.00		NIST
Inp	2852.00		NIST
Inp	2856.00		NIST
Inp	Outlier 2819.00		NIST
Inp	2838.00		NIST
Inp	2852.00		NIST
Inp	2852.00		NIST
Inp	2866.00		NIST
Inp	2856.00		NIST
Tboil	851.06	K	Joback Calculated Property
Tc	1072.72	K	Joback Calculated Property
Tfus	453.29	K	Joback Calculated Property
Vc	1.317	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1250.75; 1438.92]	J/mol×K	[851.06; 1072.72]
Cp,gas	1250.75	J/mol×K	851.06	Joback Calculated Property
Cp,gas	1282.08	J/mol×K	888.00	Joback Calculated Property
Cp,gas	1312.99	J/mol×K	924.95	Joback Calculated Property
Cp,gas	1343.81	J/mol×K	961.89	Joback Calculated Property
Cp,gas	1374.86	J/mol×K	998.83	Joback Calculated Property
Cp,gas	1406.45	J/mol×K	1035.78	Joback Calculated Property
Cp,gas	1438.92	J/mol×K	1072.72	Joback Calculated Property
ΔfusH	25.40	kJ/mol	351.80	NIST
ΔvapH	[108.40; 115.60]	kJ/mol	[352.00; 509.50]
ΔvapH	108.40	kJ/mol	352.00	NIST
ΔvapH	115.60	kJ/mol	509.50	NIST

Similar Compounds

Find more compounds similar to Cholestane.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.