Chemical Properties of 5B-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-BUYWQYGGSA-N

Formula

C20H34O2

SMILES

CC[C@]1(O)CCC2C3CC[C@@H]4C[C@@H](O)CCC4C3CCC21C

Molecular Weight¹

306.49

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.46	kJ/mol	Joback Calculated Property
logPoct/wat	4.141		Crippen Calculated Property
McVol	260.960	ml/mol	McGowan Calculated Property
Inp	[2505.00; 2505.00]
Inp	2505.00		NIST
Inp	2505.00		NIST
Tfus	454.00	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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 5B-Estran-3B,17B-diol, 17A-ethyl.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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