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

• 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

Property	Value	Unit	Source
ω	0.7204		Relay (... Calculated Property
ΔfG°	179.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-578.02	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.41	kJ/mol	Joback Calculated Property
ΔvapH°	145.31	kJ/mol	Relay (... Calculated Property
IE	8.99	eV	Relay (... Calculated Property
log10WS	-7.95		Relay (... 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	688.29	K	Relay (... Calculated Property
Tc	974.09	K	Relay (... Calculated Property
Tfus	417.14	K	Relay (... Calculated Property
Vc	1.385	m3/kmol	Relay (... 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

• Cheméo Relay (1.0)
• 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.