Chemical Properties of 3«beta»-Hydroxystigmast-5-en-7-one

InChI

InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24?,25?,27?,28+,29-/m0/s1

InChI Key

ICFXJOAKQGDRCT-CGUUZUFZSA-N

Formula

C29H48O2

SMILES

CCC(CCC(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C

Molecular Weight¹

428.69

• 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°	95.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-671.49	kJ/mol	Joback Calculated Property
ΔfusH°	37.38	kJ/mol	Joback Calculated Property
ΔvapH°	98.15	kJ/mol	Joback Calculated Property
log10WS	-7.87		Crippen Calculated Property
logPoct/wat	7.204		Crippen Calculated Property
McVol	379.170	ml/mol	McGowan Calculated Property
Pc	980.23	kPa	Joback Calculated Property
Inp	[3609.00; 3609.00]
Inp	3609.00		NIST
Inp	3609.00		NIST
Tboil	1060.52	K	Joback Calculated Property
Tc	1299.59	K	Joback Calculated Property
Tfus	603.15	K	Joback Calculated Property
Vc	1.435	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1515.22; 1752.46]	J/mol×K	[1060.52; 1299.59]
Cp,gas	1515.22	J/mol×K	1060.52	Joback Calculated Property
Cp,gas	1550.55	J/mol×K	1100.36	Joback Calculated Property
Cp,gas	1587.08	J/mol×K	1140.21	Joback Calculated Property
Cp,gas	1625.16	J/mol×K	1180.05	Joback Calculated Property
Cp,gas	1665.18	J/mol×K	1219.90	Joback Calculated Property
Cp,gas	1707.49	J/mol×K	1259.74	Joback Calculated Property
Cp,gas	1752.46	J/mol×K	1299.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3«beta»-Hydroxystigmast-5-en-7-one.

Sources

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

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