Chemical Properties of 17-Ethylestr-4-en-17-ol (CAS 965-90-2)

InChI

InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3

InChI Key

AOXRBFRFYPMWLR-UHFFFAOYSA-N

Formula

C20H32O

SMILES

CCC1(O)CCC2C3CCC4=CCCCC4C3CCC21C

Molecular Weight¹

288.47

CAS

965-90-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.78; 991.30]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.02599e+02
Coefficient B			2.90874e+00
Coefficient C			-2.61804e-03
Coefficient D			1.00320e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	316.78	J/mol×K	273.00	Calculated Property
Cp,gas	443.20	J/mol×K	353.78	Calculated Property
Cp,gas	549.35	J/mol×K	434.56	Calculated Property
Cp,gas	638.40	J/mol×K	515.33	Calculated Property
Cp,gas	713.52	J/mol×K	596.11	Calculated Property
Cp,gas	777.89	J/mol×K	676.89	Calculated Property
Cp,gas	834.68	J/mol×K	757.67	Calculated Property
Cp,gas	887.07	J/mol×K	838.44	Calculated Property
Cp,gas	938.22	J/mol×K	919.22	Calculated Property
Cp,gas	991.30	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 17-Ethylestr-4-en-17-ol.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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