Chemical Properties of 3Alpha,5alpha-cycloandrostan-6beta-ol,17-ethylenedioxy

InChI

InChI=1S/C21H32O3/c1-18-6-3-13-12-20(13,18)17(22)11-14-15(18)4-7-19(2)16(14)5-8-21(19)23-9-10-24-21/h13-17,22H,3-12H2,1-2H3

InChI Key

QKKPKPKZZIQUSI-UHFFFAOYSA-N

Formula

C21H32O3

SMILES

CC12CCC3C(CC(O)C45CC4CCC35C)C1CCC21OCCO1

Molecular Weight¹

332.48

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[333.95; 1093.51]	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			-4.75230e+02
Coefficient B			3.99154e+00
Coefficient C			-4.26740e-03
Coefficient D			1.84460e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	333.95	J/mol×K	273.00	Calculated Property
Cp,gas	484.46	J/mol×K	353.78	Calculated Property
Cp,gas	604.84	J/mol×K	434.56	Calculated Property
Cp,gas	700.90	J/mol×K	515.33	Calculated Property
Cp,gas	778.49	J/mol×K	596.11	Calculated Property
Cp,gas	843.44	J/mol×K	676.89	Calculated Property
Cp,gas	901.59	J/mol×K	757.67	Calculated Property
Cp,gas	958.76	J/mol×K	838.44	Calculated Property
Cp,gas	1020.79	J/mol×K	919.22	Calculated Property
Cp,gas	1093.51	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3Alpha,5alpha-cycloandrostan-6beta-ol,17-ethylenedioxy.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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