Chemical Properties of 24-Ethylcholesta-5,7-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/h10-11,19-21,23,25-27,30H,7-9,12-18H2,1-6H3/t20?,21?,23-,25?,26?,27?,28?,29?/m1/s1

InChI Key

ARVGMISWLZPBCH-GODUPTBPSA-N

Formula

C29H48O

SMILES

CCC(CCC(C)C1CCC2C3=CC=C4CC(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	0.7096		Relay (1.0) Calculated Property
ΔfG°	245.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-474.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.64	kJ/mol	Joback Calculated Property
ΔvapH°	146.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-7.26		Relay (1.0) Calculated Property
logPoct/wat	7.945		Crippen Calculated Property
McVol	373.300	ml/mol	McGowan Calculated Property
Pc	992.00	kPa	Joback Calculated Property
Inp	[3285.00; 3335.00]
Inp	3285.00		NIST
Inp	3335.00		NIST
Tboil	695.10	K	Relay (1.0) Calculated Property
Tc	970.56	K	Relay (1.0) Calculated Property
Tfus	403.40	K	Relay (1.0) Calculated Property
Vc	1.324	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1424.19; 1644.04]	J/mol×K	[1001.51; 1229.27]
Cp,gas	1424.19	J/mol×K	1001.51	Joback Calculated Property
Cp,gas	1457.07	J/mol×K	1039.47	Joback Calculated Property
Cp,gas	1490.99	J/mol×K	1077.43	Joback Calculated Property
Cp,gas	1526.29	J/mol×K	1115.39	Joback Calculated Property
Cp,gas	1563.32	J/mol×K	1153.35	Joback Calculated Property
Cp,gas	1602.45	J/mol×K	1191.31	Joback Calculated Property
Cp,gas	1644.04	J/mol×K	1229.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to 24-Ethylcholesta-5,7-dien-3-«beta»-ol.

Sources

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

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