Chemical Properties of 4-Cholesten-3-one, MO

InChI

InChI=1S/C28H47NO/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-30-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h18-20,23-26H,7-17H2,1-6H3/b29-22+/t20?,23?,24-,25?,26?,27+,28-/m0/s1

InChI Key

ANJYUACJDKITGZ-ZAZWZDAPSA-N

Formula

C28H47NO

SMILES

CON=C1C=C2CCC3C(CCC4(C)C(C(C)CCCC(C)C)CCC34)C2(C)CC1

Molecular Weight¹

413.68

• 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	-426.49	kJ/mol	Joback Calculated Property
ΔvapH°	82.25	kJ/mol	Joback Calculated Property
log10WS	-8.28		Crippen Calculated Property
logPoct/wat	8.030		Crippen Calculated Property
McVol	369.190	ml/mol	McGowan Calculated Property
Pc	893.73	kPa	Joback Calculated Property
Inp	[3147.00; 3147.00]
Inp	3147.00		NIST
Inp	3147.00		NIST
Tboil	984.33	K	Joback Calculated Property
Tc	1217.74	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Cholesten-3-one, MO.

Sources

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

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