Chemical Properties of Androsterone, methyl ether

InChI

InChI=1S/C20H32O2/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h13-17H,4-12H2,1-3H3

InChI Key

OZUIPNMWFGWFOM-UHFFFAOYSA-N

Formula

C20H32O2

SMILES

COC1CCC2(C)C(CCC3C4CCC(=O)C4(C)CCC32)C1

Molecular Weight¹

304.47

• 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).
• 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°	20.91	kJ/mol	Joback Calculated Property
log10WS	-4.94		Relay (1.0) Calculated Property
logPoct/wat	4.613		Crippen Calculated Property
McVol	256.660	ml/mol	McGowan Calculated Property
Inp	[2630.10; 2630.10]
Inp	2630.10		NIST
Inp	2630.10		NIST
Tfus	393.78	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 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	[332.24; 1031.26]	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			-2.62100e+02
Coefficient B			2.73226e+00
Coefficient C			-2.25700e-03
Coefficient D			8.18100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	332.24	J/mol×K	273.00	Calculated Property
Cp,gas	458.25	J/mol×K	353.78	Calculated Property
Cp,gas	566.14	J/mol×K	434.56	Calculated Property
Cp,gas	658.50	J/mol×K	515.33	Calculated Property
Cp,gas	737.90	J/mol×K	596.11	Calculated Property
Cp,gas	806.95	J/mol×K	676.89	Calculated Property
Cp,gas	868.22	J/mol×K	757.67	Calculated Property
Cp,gas	924.30	J/mol×K	838.44	Calculated Property
Cp,gas	977.79	J/mol×K	919.22	Calculated Property
Cp,gas	1031.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Androsterone, methyl ether.

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.
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