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

InChI

InChI=1S/C33H56O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-31(35)36-30-19-18-28-27-17-16-25-24-26(34)20-22-32(25,2)29(27)21-23-33(28,30)3/h25,27-30H,4-24H2,1-3H3/t25-,27?,28?,29?,30+,32-,33-/m1/s1

InChI Key

KHBHXBFIPLSHCM-RCBHXCHNSA-N

Formula

C33H56O3

SMILES

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

Molecular Weight¹

500.80

• 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°	18.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-877.09	kJ/mol	Joback Calculated Property
ΔfusH°	56.18	kJ/mol	Joback Calculated Property
ΔvapH°	99.74	kJ/mol	Joback Calculated Property
log10WS	-10.02		Crippen Calculated Property
logPoct/wat	9.211		Crippen Calculated Property
McVol	441.400	ml/mol	McGowan Calculated Property
Pc	742.86	kPa	Joback Calculated Property
Inp	[3857.03; 3857.03]
Inp	3857.03		NIST
Inp	3857.03		NIST
Tboil	1133.33	K	Joback Calculated Property
Tc	1388.96	K	Joback Calculated Property
Tfus	691.29	K	Joback Calculated Property
Vc	1.696	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1817.55; 2104.92]	J/mol×K	[1133.33; 1388.96]
Cp,gas	1817.55	J/mol×K	1133.33	Joback Calculated Property
Cp,gas	1859.83	J/mol×K	1175.94	Joback Calculated Property
Cp,gas	1903.76	J/mol×K	1218.54	Joback Calculated Property
Cp,gas	1949.79	J/mol×K	1261.15	Joback Calculated Property
Cp,gas	1998.36	J/mol×K	1303.75	Joback Calculated Property
Cp,gas	2049.92	J/mol×K	1346.36	Joback Calculated Property
Cp,gas	2104.92	J/mol×K	1388.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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