Chemical Properties of Cholestan-3-ol, 4,4-dimethyl-, (3«beta»,5«alpha»)- (CAS 2550-84-7)

InChI

InChI=1S/C29H52O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-26,30H,8-18H2,1-7H3/t20-,21+,22-,23+,24+,25+,26+,28-,29-/m0/s1

InChI Key

PCWHWFOTXAIVFT-WVYPIYABSA-N

Formula

C29H52O

SMILES

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

Molecular Weight¹

416.72

CAS

2550-84-7

Other Names

• 4,4-Dimethylcholestan-3-ol-, (3«beta»,5«alpha»)-
• 4,4-Dimethyl-5-«alpha»-cholestan-3-«beta»-ol

• 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°	179.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-600.26	kJ/mol	Joback Calculated Property
ΔfusH°	36.41	kJ/mol	Joback Calculated Property
ΔvapH°	91.57	kJ/mol	Joback Calculated Property
log10WS	-8.50		Crippen Calculated Property
logPoct/wat	8.105		Crippen Calculated Property
McVol	381.900	ml/mol	McGowan Calculated Property
Pc	930.07	kPa	Joback Calculated Property
Inp	[3265.00; 3265.00]
Inp	3265.00		NIST
Inp	3265.00		NIST
Tboil	979.90	K	Joback Calculated Property
Tc	1204.03	K	Joback Calculated Property
Tfus	552.07	K	Joback Calculated Property
Vc	1.444	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1498.15; 1756.08]	J/mol×K	[979.90; 1204.03]
Cp,gas	1498.15	J/mol×K	979.90	Joback Calculated Property
Cp,gas	1535.98	J/mol×K	1017.26	Joback Calculated Property
Cp,gas	1575.30	J/mol×K	1054.61	Joback Calculated Property
Cp,gas	1616.56	J/mol×K	1091.97	Joback Calculated Property
Cp,gas	1660.16	J/mol×K	1129.32	Joback Calculated Property
Cp,gas	1706.52	J/mol×K	1166.68	Joback Calculated Property
Cp,gas	1756.08	J/mol×K	1204.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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