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

InChI

InChI=1S/C20H34O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h13-18,21-22H,3-12H2,1-2H3/t13-,14-,15?,16?,17?,18?,19?,20-/m1/s1

InChI Key

GUBNWXDDDXQJOQ-ASWUYFMQSA-N

Formula

C20H34O2

SMILES

CCC1(O)CCC2C3CCC4CC(O)CCC4C3CCC21C

Molecular Weight¹

306.48

• 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°	-15.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-551.07	kJ/mol	Joback Calculated Property
ΔfusH°	29.46	kJ/mol	Joback Calculated Property
ΔvapH°	90.45	kJ/mol	Joback Calculated Property
log10WS	-5.07		Crippen Calculated Property
logPoct/wat	4.141		Crippen Calculated Property
McVol	260.960	ml/mol	McGowan Calculated Property
Pc	1809.23	kPa	Joback Calculated Property
Inp	[2520.00; 2520.00]
Inp	2520.00		NIST
Inp	2520.00		NIST
Tboil	871.47	K	Joback Calculated Property
Tc	1084.67	K	Joback Calculated Property
Tfus	521.80	K	Joback Calculated Property
Vc	0.974	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[970.48; 1119.95]	J/mol×K	[871.47; 1084.67]
Cp,gas	970.48	J/mol×K	871.47	Joback Calculated Property
Cp,gas	994.25	J/mol×K	907.00	Joback Calculated Property
Cp,gas	1018.13	J/mol×K	942.54	Joback Calculated Property
Cp,gas	1042.37	J/mol×K	978.07	Joback Calculated Property
Cp,gas	1067.25	J/mol×K	1013.60	Joback Calculated Property
Cp,gas	1093.02	J/mol×K	1049.14	Joback Calculated Property
Cp,gas	1119.95	J/mol×K	1084.67	Joback Calculated Property

Similar Compounds

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

Sources

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

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