Chemical Properties of 17-Ethylenedioxy-3alpha,5-cyclo-5alpha-androstan-6beta-ol acetate

InChI

InChI=1S/C23H34O4/c1-14(24)27-19-12-16-17(20(2)7-4-15-13-22(15,19)20)5-8-21(3)18(16)6-9-23(21)25-10-11-26-23/h15-19H,4-13H2,1-3H3

InChI Key

DDWOPNVMVRRBIH-UHFFFAOYSA-N

Formula

C23H34O4

SMILES

CC(=O)OC1CC2C3CCC4(OCCO4)C3(C)CCC2C2(C)CCC3CC312

Molecular Weight¹

374.52

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[380.21; 1186.13]	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			-4.56930e+02
Coefficient B			4.09276e+00
Coefficient C			-4.25120e-03
Coefficient D			1.80150e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	380.21	J/mol×K	273.00	Calculated Property
Cp,gas	538.69	J/mol×K	353.78	Calculated Property
Cp,gas	666.64	J/mol×K	434.56	Calculated Property
Cp,gas	769.77	J/mol×K	515.33	Calculated Property
Cp,gas	853.76	J/mol×K	596.11	Calculated Property
Cp,gas	924.32	J/mol×K	676.89	Calculated Property
Cp,gas	987.13	J/mol×K	757.67	Calculated Property
Cp,gas	1047.91	J/mol×K	838.44	Calculated Property
Cp,gas	1112.34	J/mol×K	919.22	Calculated Property
Cp,gas	1186.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 17-Ethylenedioxy-3alpha,5-cyclo-5alpha-androstan-6beta-ol acetate.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.