Chemical Properties of 24-Ethylcholesta-8,14,24(28)-trien-3-«beta»-ol

InChI

InChI=1S/C29H46O/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/h7,13,19-20,22-23,25,30H,8-12,14-18H2,1-6H3/b21-7-/t20?,22?,23-,25?,28?,29?/m1/s1

InChI Key

MZYZVYBSCOUPPO-ZRUGTGOESA-N

Formula

C29H46O

SMILES

CC=C(CCC(C)C1CC=C2C3=C(CCC21C)C1(C)CCC(O)CC1CC3)C(C)C

Molecular Weight¹

410.67

• 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	0.6892		Relay (1.0) Calculated Property
ΔfG°	318.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-401.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.59	kJ/mol	Joback Calculated Property
ΔvapH°	146.57	kJ/mol	Relay (1.0) Calculated Property
IE	7.65	eV	Relay (1.0) Calculated Property
log10WS	-6.68		Relay (1.0) Calculated Property
logPoct/wat	8.009		Crippen Calculated Property
McVol	369.000	ml/mol	McGowan Calculated Property
Pc	1035.23	kPa	Joback Calculated Property
Inp	[3320.00; 3320.00]
Inp	3320.00		NIST
Inp	3320.00		NIST
Tboil	700.72	K	Relay (1.0) Calculated Property
Tc	966.56	K	Relay (1.0) Calculated Property
Tfus	423.78	K	Relay (1.0) Calculated Property
Vc	1.305	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1395.22; 1629.62]	J/mol×K	[1015.64; 1247.64]
Cp,gas	1395.22	J/mol×K	1015.64	Joback Calculated Property
Cp,gas	1429.23	J/mol×K	1054.31	Joback Calculated Property
Cp,gas	1464.73	J/mol×K	1092.97	Joback Calculated Property
Cp,gas	1502.12	J/mol×K	1131.64	Joback Calculated Property
Cp,gas	1541.81	J/mol×K	1170.31	Joback Calculated Property
Cp,gas	1584.17	J/mol×K	1208.97	Joback Calculated Property
Cp,gas	1629.62	J/mol×K	1247.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 24-Ethylcholesta-8,14,24(28)-trien-3-«beta»-ol.

Sources

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

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