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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-3.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-686.60	kJ/mol	Joback Calculated Property
ΔfusH°	40.40	kJ/mol	Joback Calculated Property
ΔvapH°	87.64	kJ/mol	Joback Calculated Property
log10WS	-7.60		Crippen Calculated Property
logPoct/wat	6.791		Crippen Calculated Property
McVol	352.560	ml/mol	McGowan Calculated Property
Pc	1082.78	kPa	Joback Calculated Property
Inp	[2755.00; 2755.00]
Inp	2755.00		NIST
Inp	2755.00		NIST
Tboil	1004.86	K	Joback Calculated Property
Tc	1240.92	K	Joback Calculated Property
Tfus	641.19	K	Joback Calculated Property
Vc	1.347	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1344.26; 1549.50]	J/mol×K	[1004.86; 1240.92]
Cp,gas	1344.26	J/mol×K	1004.86	Joback Calculated Property
Cp,gas	1375.64	J/mol×K	1044.20	Joback Calculated Property
Cp,gas	1407.71	J/mol×K	1083.55	Joback Calculated Property
Cp,gas	1440.80	J/mol×K	1122.89	Joback Calculated Property
Cp,gas	1475.24	J/mol×K	1162.24	Joback Calculated Property
Cp,gas	1511.37	J/mol×K	1201.58	Joback Calculated Property
Cp,gas	1549.50	J/mol×K	1240.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Epitestosterone, octanoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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