Chemical Properties of 5«alpha»,17«alpha»-Dihydroepitestosterone dodecanoate

InChI

InChI=1S/C31H52O3/c1-4-5-6-7-8-9-10-11-12-13-29(33)34-28-17-16-26-25-15-14-23-22-24(32)18-20-30(23,2)27(25)19-21-31(26,28)3/h23,25-28H,4-22H2,1-3H3/t23-,25?,26?,27?,28+,30-,31-/m1/s1

InChI Key

BTKHMAJQYKSLGC-PTMMZADXSA-N

Formula

C31H52O3

SMILES

CCCCCCCCCCCC(=O)OC1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C

Molecular Weight¹

472.74

• 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°	2.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-835.81	kJ/mol	Joback Calculated Property
ΔfusH°	51.00	kJ/mol	Joback Calculated Property
ΔvapH°	95.29	kJ/mol	Joback Calculated Property
log10WS	-9.18		Crippen Calculated Property
logPoct/wat	8.431		Crippen Calculated Property
McVol	413.220	ml/mol	McGowan Calculated Property
Pc	827.16	kPa	Joback Calculated Property
Inp	[3632.42; 3632.42]
Inp	3632.42		NIST
Inp	3632.42		NIST
Tboil	1087.57	K	Joback Calculated Property
Tc	1331.61	K	Joback Calculated Property
Tfus	668.75	K	Joback Calculated Property
Vc	1.583	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1666.72; 1917.24]	J/mol×K	[1087.57; 1331.61]
Cp,gas	1666.72	J/mol×K	1087.57	Joback Calculated Property
Cp,gas	1704.36	J/mol×K	1128.24	Joback Calculated Property
Cp,gas	1743.14	J/mol×K	1168.92	Joback Calculated Property
Cp,gas	1783.43	J/mol×K	1209.59	Joback Calculated Property
Cp,gas	1825.63	J/mol×K	1250.26	Joback Calculated Property
Cp,gas	1870.11	J/mol×K	1290.94	Joback Calculated Property
Cp,gas	1917.24	J/mol×K	1331.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5«alpha»,17«alpha»-Dihydroepitestosterone dodecanoate.

Sources

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

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