Chemical Properties of 5«beta»,17«alpha»-Dihydroepitestosterone octadecanoate

InChI

InChI=1S/C37H64O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-35(39)40-34-23-22-32-31-21-20-29-28-30(38)24-26-36(29,2)33(31)25-27-37(32,34)3/h29,31-34H,4-28H2,1-3H3/t29-,31?,32?,33?,34-,36+,37+/m0/s1

InChI Key

KZAUIRNIQLKHJV-FGSFGQHJSA-N

Formula

C37H64O3

SMILES

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

Molecular Weight¹

556.90

• 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°	52.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-959.65	kJ/mol	Joback Calculated Property
ΔfusH°	66.54	kJ/mol	Joback Calculated Property
ΔvapH°	108.64	kJ/mol	Joback Calculated Property
log10WS	-11.69		Crippen Calculated Property
logPoct/wat	10.772		Crippen Calculated Property
McVol	497.760	ml/mol	McGowan Calculated Property
Pc	608.76	kPa	Joback Calculated Property
Inp	[4220.46; 4220.46]
Inp	4220.46		NIST
Inp	4220.46		NIST
Tboil	1224.85	K	Joback Calculated Property
Tc	1520.00	K	Joback Calculated Property
Tfus	736.37	K	Joback Calculated Property
Vc	1.919	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2133.25; 2538.75]	J/mol×K	[1224.85; 1520.00]
Cp,gas	2133.25	J/mol×K	1224.85	Joback Calculated Property
Cp,gas	2189.93	J/mol×K	1274.04	Joback Calculated Property
Cp,gas	2250.01	J/mol×K	1323.23	Joback Calculated Property
Cp,gas	2314.20	J/mol×K	1372.42	Joback Calculated Property
Cp,gas	2383.25	J/mol×K	1421.62	Joback Calculated Property
Cp,gas	2457.86	J/mol×K	1470.81	Joback Calculated Property
Cp,gas	2538.75	J/mol×K	1520.00	Joback Calculated Property

Similar Compounds

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

Sources

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

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