Chemical Properties of A-norandrost-3(5)-en-2-one, 3,17-dihydroxy-,

InChI

InChI=1S/C18H26O3/c1-17-8-7-12-10(11(17)5-6-15(17)20)3-4-13-16(21)14(19)9-18(12,13)2/h10-12,15,20-21H,3-9H2,1-2H3

InChI Key

BCMRIYGWARNVDI-UHFFFAOYSA-N

Formula

C18H26O3

SMILES

CC12CC(=O)C(O)=C1CCC1C2CCC2(C)C(O)CCC12

Molecular Weight¹

290.40

• 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	[300.67; 901.10]	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			-2.39640e+02
Coefficient B			2.53454e+00
Coefficient C			-2.27500e-03
Coefficient D			8.81200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	300.67	J/mol×K	273.00	Calculated Property
Cp,gas	411.31	J/mol×K	353.78	Calculated Property
Cp,gas	504.46	J/mol×K	434.56	Calculated Property
Cp,gas	582.92	J/mol×K	515.33	Calculated Property
Cp,gas	649.47	J/mol×K	596.11	Calculated Property
Cp,gas	706.90	J/mol×K	676.89	Calculated Property
Cp,gas	757.99	J/mol×K	757.67	Calculated Property
Cp,gas	805.53	J/mol×K	838.44	Calculated Property
Cp,gas	852.30	J/mol×K	919.22	Calculated Property
Cp,gas	901.10	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to A-norandrost-3(5)-en-2-one, 3,17-dihydroxy-,.

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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