Chemical Properties of 5B-Estran-3-on-17B-ol, 17A-methyl

InChI

InChI=1S/C19H30O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h12,14-17,21H,3-11H2,1-2H3/t12-,14?,15?,16?,17?,18?,19+/m0/s1

InChI Key

MDXRCPMWSFWIEZ-OTTODHLHSA-N

Formula

C19H30O2

SMILES

CC1(O)CCC2C3CCC4CC(=O)CCC4C3CCC21C

Molecular Weight¹

290.44

• 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°	-1.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-495.56	kJ/mol	Joback Calculated Property
ΔfusH°	21.22	kJ/mol	Joback Calculated Property
ΔvapH°	76.10	kJ/mol	Joback Calculated Property
log10WS	-4.56		Crippen Calculated Property
logPoct/wat	3.959		Crippen Calculated Property
McVol	242.570	ml/mol	McGowan Calculated Property
Pc	1925.36	kPa	Joback Calculated Property
Inp	[2440.00; 2440.00]
Inp	2440.00		NIST
Inp	2440.00		NIST
Tboil	828.90	K	Joback Calculated Property
Tc	1062.98	K	Joback Calculated Property
Tfus	522.17	K	Joback Calculated Property
Vc	0.906	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[870.61; 1022.62]	J/mol×K	[828.90; 1062.98]
Cp,gas	870.61	J/mol×K	828.90	Joback Calculated Property
Cp,gas	895.49	J/mol×K	867.91	Joback Calculated Property
Cp,gas	920.14	J/mol×K	906.93	Joback Calculated Property
Cp,gas	944.87	J/mol×K	945.94	Joback Calculated Property
Cp,gas	969.98	J/mol×K	984.95	Joback Calculated Property
Cp,gas	995.80	J/mol×K	1023.97	Joback Calculated Property
Cp,gas	1022.62	J/mol×K	1062.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5B-Estran-3-on-17B-ol, 17A-methyl.

Sources

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

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