Chemical Properties of 3,5-Cholestadien-7-one, MO

InChI

InChI=1S/C28H45NO/c1-19(2)10-9-11-20(3)22-13-14-23-26-24(15-17-28(22,23)5)27(4)16-8-7-12-21(27)18-25(26)29-30-6/h7,12,18-20,22-24,26H,8-11,13-17H2,1-6H3/t20?,22-,23?,24?,26?,27+,28-/m0/s1

InChI Key

YIIXEXYTOLDYFP-TXYBNLJASA-N

Formula

C28H45NO

SMILES

CON=C1C=C2C=CCCC2(C)C2CCC3(C)C(C(C)CCCC(C)C)CCC3C12

Molecular Weight¹

411.66

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-368.71	kJ/mol	Joback Calculated Property
ΔvapH°	82.54	kJ/mol	Joback Calculated Property
log10WS	-8.14		Crippen Calculated Property
logPoct/wat	7.806		Crippen Calculated Property
McVol	364.890	ml/mol	McGowan Calculated Property
Pc	913.29	kPa	Joback Calculated Property
Inp	[3104.00; 3104.00]
Inp	3104.00		NIST
Inp	3104.00		NIST
Inp	3104.00		NIST
Tboil	983.49	K	Joback Calculated Property
Tc	1217.72	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Cholestadien-7-one, MO.

Sources

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

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