Chemical Properties of Androst-4-en-3-one, 4-chloro-17-hydroxy-, (17«beta»)- (CAS 1093-58-9)

InChI

InChI=1S/C19H27ClO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-13,16,22H,3-10H2,1-2H3/t11?,12?,13?,16-,18?,19?/m1/s1

InChI Key

KCZCIYZKSLLNNH-MQPPDSCVSA-N

Formula

C19H27ClO2

SMILES

CC12CCC(=O)C(Cl)=C1CCC1C2CCC2(C)C(O)CCC12

Molecular Weight¹

322.87

CAS

1093-58-9

Other Names

• 4-Chloro-17beta-hydroxyandrost-4-en-3-one
• 4-Chloro-17«beta»-hydroxyandrost-4-en-3-one
• 4-Chlorotestosterone
• Clostebol
• Clostebol Acetate

• 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	[317.89; 944.07]	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			-2.38070e+02
Coefficient B			2.59274e+00
Coefficient C			-2.27300e-03
Coefficient D			8.62400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	317.89	J/mol×K	273.00	Calculated Property
Cp,gas	432.88	J/mol×K	353.78	Calculated Property
Cp,gas	530.16	J/mol×K	434.56	Calculated Property
Cp,gas	612.44	J/mol×K	515.33	Calculated Property
Cp,gas	682.46	J/mol×K	596.11	Calculated Property
Cp,gas	742.95	J/mol×K	676.89	Calculated Property
Cp,gas	796.62	J/mol×K	757.67	Calculated Property
Cp,gas	846.22	J/mol×K	838.44	Calculated Property
Cp,gas	894.46	J/mol×K	919.22	Calculated Property
Cp,gas	944.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Androst-4-en-3-one, 4-chloro-17-hydroxy-, (17«beta»)-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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