Chemical Properties of 5«alpha»-Stigmastan-3-one

InChI

InChI=1S/C29H50O/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/h19-22,24-27H,7-18H2,1-6H3/t20-,21-,22+,24?,25-,26?,27?,28+,29-/m0/s1

InChI Key

BVVFRHKBULZQCQ-YQDNUHGOSA-N

Formula

C29H50O

SMILES

CCC(CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C)C(C)C

Molecular Weight¹

414.71

• 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°	211.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-565.57	kJ/mol	Joback Calculated Property
ΔfusH°	32.46	kJ/mol	Joback Calculated Property
ΔvapH°	80.51	kJ/mol	Joback Calculated Property
log10WS	-8.40		Crippen Calculated Property
logPoct/wat	8.313		Crippen Calculated Property
McVol	377.600	ml/mol	McGowan Calculated Property
Pc	914.39	kPa	Joback Calculated Property
Inp	[3370.00; 3370.00]
Inp	3370.00		NIST
Inp	3370.00		NIST
Tboil	964.20	K	Joback Calculated Property
Tc	1196.35	K	Joback Calculated Property
Tfus	529.05	K	Joback Calculated Property
Vc	1.429	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1447.61; 1659.43]	J/mol×K	[964.20; 1196.35]
Cp,gas	1447.61	J/mol×K	964.20	Joback Calculated Property
Cp,gas	1481.21	J/mol×K	1002.89	Joback Calculated Property
Cp,gas	1515.03	J/mol×K	1041.58	Joback Calculated Property
Cp,gas	1549.43	J/mol×K	1080.28	Joback Calculated Property
Cp,gas	1584.73	J/mol×K	1118.97	Joback Calculated Property
Cp,gas	1621.28	J/mol×K	1157.66	Joback Calculated Property
Cp,gas	1659.43	J/mol×K	1196.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5«alpha»-Stigmastan-3-one.

Sources

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

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