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

InChI

InChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13?,14?,15?,16?,17?,18?,19-/m1/s1

InChI Key

HMMIGANEGZIQOT-KIYNURMZSA-N

Formula

C19H32O2

SMILES

CC1(O)CCC2C3CCC4CC(O)CCC4C3CCC21C

Molecular Weight¹

292.46

• 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°	-23.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-530.43	kJ/mol	Joback Calculated Property
ΔfusH°	26.87	kJ/mol	Joback Calculated Property
ΔvapH°	88.22	kJ/mol	Joback Calculated Property
log10WS	-4.66		Crippen Calculated Property
logPoct/wat	3.751		Crippen Calculated Property
McVol	246.870	ml/mol	McGowan Calculated Property
Pc	1966.56	kPa	Joback Calculated Property
Inp	[2395.00; 2410.00]
Inp	2395.00		NIST
Inp	2410.00		NIST
Tboil	848.59	K	Joback Calculated Property
Tc	1062.44	K	Joback Calculated Property
Tfus	510.53	K	Joback Calculated Property
Vc	0.917	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[907.30; 1050.06]	J/mol×K	[848.59; 1062.44]
Cp,gas	907.30	J/mol×K	848.59	Joback Calculated Property
Cp,gas	930.23	J/mol×K	884.23	Joback Calculated Property
Cp,gas	953.16	J/mol×K	919.87	Joback Calculated Property
Cp,gas	976.35	J/mol×K	955.52	Joback Calculated Property
Cp,gas	1000.05	J/mol×K	991.16	Joback Calculated Property
Cp,gas	1024.53	J/mol×K	1026.80	Joback Calculated Property
Cp,gas	1050.06	J/mol×K	1062.44	Joback Calculated Property

Similar Compounds

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

Sources

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

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