Chemical Properties of Epitestosterone, octanoate

InChI

InChI=1S/C27H42O3/c1-4-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-18-20(28)14-16-26(19,2)23(21)15-17-27(22,24)3/h18,21-24H,4-17H2,1-3H3

InChI Key

KCQOWSKVHVGCCF-UHFFFAOYSA-N

Formula

C27H42O3

SMILES

CCCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C

Molecular Weight¹

414.62

• 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°	41.98	kJ/mol	Joback Calculated Property
log10WS	-6.50		Relay (1.0) Calculated Property
logPoct/wat	6.791		Crippen Calculated Property
McVol	352.560	ml/mol	McGowan Calculated Property
Inp	[2755.00; 2755.00]
Inp	2755.00		NIST
Inp	2755.00		NIST
Tfus	358.67	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1330.91; 1526.49]	J/mol×K	[986.99; 1220.62]
Cp,gas	1330.91	J/mol×K	986.99	Joback Calculated Property
Cp,gas	1361.22	J/mol×K	1025.93	Joback Calculated Property
Cp,gas	1392.02	J/mol×K	1064.87	Joback Calculated Property
Cp,gas	1423.62	J/mol×K	1103.80	Joback Calculated Property
Cp,gas	1456.36	J/mol×K	1142.74	Joback Calculated Property
Cp,gas	1490.54	J/mol×K	1181.68	Joback Calculated Property
Cp,gas	1526.49	J/mol×K	1220.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Epitestosterone, octanoate.

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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