Chemical Properties of 5«beta»,17«beta»-Dihydrotestosterone propanoate

InChI

InChI=1S/C21H32O3/c1-3-20(23)24-19-9-8-18-17-6-4-13-12-14(22)5-7-15(13)16(17)10-11-21(18,19)2/h13,15-19H,3-12H2,1-2H3/t13-,15?,16?,17?,18?,19+,21+/m0/s1

InChI Key

KZOYXNFYEUGSMF-ZZEZVYPVSA-N

Formula

C21H32O3

SMILES

CCC(=O)OC1CCC2C3CCC4CC(=O)CCC4C3CCC12C

Molecular Weight¹

332.48

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5955		Relay (... Calculated Property
ΔfG°	-76.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-718.02	kJ/mol	Relay (... Calculated Property
ΔfusH°	31.40	kJ/mol	Joback Calculated Property
ΔvapH°	104.09	kJ/mol	Relay (... Calculated Property
IE	8.92	eV	Relay (... Calculated Property
log10WS	-5.10		Relay (... Calculated Property
logPoct/wat	4.530		Crippen Calculated Property
McVol	272.320	ml/mol	McGowan Calculated Property
Pc	1523.50	kPa	Joback Calculated Property
Inp	[2677.85; 2690.55]
Inp	2677.85		NIST
Inp	2690.55		NIST
Inp	2677.85		NIST
Tboil	655.55	K	Relay (... Calculated Property
Tc	930.96	K	Relay (... Calculated Property
Tfus	406.87	K	Relay (... Calculated Property
Vc	0.970	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[980.57; 1117.12]	J/mol×K	[858.53; 1096.95]
Cp,gas	980.57	J/mol×K	858.53	Joback Calculated Property
Cp,gas	1005.45	J/mol×K	898.27	Joback Calculated Property
Cp,gas	1029.21	J/mol×K	938.00	Joback Calculated Property
Cp,gas	1052.06	J/mol×K	977.74	Joback Calculated Property
Cp,gas	1074.20	J/mol×K	1017.47	Joback Calculated Property
Cp,gas	1095.82	J/mol×K	1057.21	Joback Calculated Property
Cp,gas	1117.12	J/mol×K	1096.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5«beta»,17«beta»-Dihydrotestosterone propanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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