Chemical Properties of Methenolone (CAS 153-00-4)

InChI

InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13-,15?,16?,17?,18-,19?,20?/m0/s1

InChI Key

ANJQEDFWRSLVBR-IVKNRJJZSA-N

Formula

C20H30O2

SMILES

CC1=CC(=O)CC2CCC3C4CCC(O)C4(C)CCC3C12C

Molecular Weight¹

302.45

CAS

153-00-4

Other Names

• Androst-1-en-3-one, 17-hydroxy-1-methyl-, (5«alpha»,17«beta»)-
• 5«alpha»-Androst-1-en-3-one, 17«beta»-hydroxy-1-methyl-
• Metenolone
• Methenolon
• 17«beta»-Hydroxy-1-methyl-5«alpha»-androst-1-en-3-one

• 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°	24.64	kJ/mol	Joback Calculated Property
log10WS	-4.47		Relay (1.0) Calculated Property
logPoct/wat	4.125		Crippen Calculated Property
McVol	252.360	ml/mol	McGowan Calculated Property
Inp	[2854.90; 2854.90]
Inp	2854.90		NIST
Inp	2854.90		NIST
Tfus	457.41	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	[325.41; 997.09]	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			-2.60230e+02
Coefficient B			2.71396e+00
Coefficient C			-2.31864e-03
Coefficient D			8.62000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	325.41	J/mol×K	273.00	Calculated Property
Cp,gas	447.88	J/mol×K	353.78	Calculated Property
Cp,gas	552.02	J/mol×K	434.56	Calculated Property
Cp,gas	640.58	J/mol×K	515.33	Calculated Property
Cp,gas	716.26	J/mol×K	596.11	Calculated Property
Cp,gas	781.81	J/mol×K	676.89	Calculated Property
Cp,gas	839.93	J/mol×K	757.67	Calculated Property
Cp,gas	893.37	J/mol×K	838.44	Calculated Property
Cp,gas	944.85	J/mol×K	919.22	Calculated Property
Cp,gas	997.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Methenolone.

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.
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