Chemical Properties of 24-Ethyl-5-«alpha»-cholest-7,24(Z)-dien-3-«beta»-ol

InChI

InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7+/t20?,22-,23-,25?,26?,27?,28?,29?/m1/s1

InChI Key

MCWVPSBQQXUCTB-PDBXLZKYSA-N

Formula

C29H48O

SMILES

CC=C(CCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C)C(C)C

Molecular Weight¹

412.69

• 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	0.6727		Relay (1.0) Calculated Property
ΔfG°	291.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-461.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.29	kJ/mol	Joback Calculated Property
ΔvapH°	145.47	kJ/mol	Relay (1.0) Calculated Property
IE	7.70	eV	Relay (1.0) Calculated Property
log10WS	-7.24		Relay (1.0) Calculated Property
logPoct/wat	7.945		Crippen Calculated Property
McVol	373.300	ml/mol	McGowan Calculated Property
Pc	988.88	kPa	Joback Calculated Property
Inp	[3360.00; 3360.00]
Inp	3360.00		NIST
Inp	3360.00		NIST
Tboil	703.98	K	Relay (1.0) Calculated Property
Tc	980.18	K	Relay (1.0) Calculated Property
Tfus	406.92	K	Relay (1.0) Calculated Property
Vc	1.315	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1430.05; 1654.44]	J/mol×K	[997.18; 1225.65]
Cp,gas	1430.05	J/mol×K	997.18	Joback Calculated Property
Cp,gas	1463.55	J/mol×K	1035.26	Joback Calculated Property
Cp,gas	1498.11	J/mol×K	1073.34	Joback Calculated Property
Cp,gas	1534.10	J/mol×K	1111.42	Joback Calculated Property
Cp,gas	1571.91	J/mol×K	1149.49	Joback Calculated Property
Cp,gas	1611.89	J/mol×K	1187.57	Joback Calculated Property
Cp,gas	1654.44	J/mol×K	1225.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to 24-Ethyl-5-«alpha»-cholest-7,24(Z)-dien-3-«beta»-ol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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