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

InChI

InChI=1S/C22H34O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h14,16-19H,4-13H2,1-3H3/t14-,16?,17?,18?,19+,21-,22-/m1/s1

InChI Key

XTAARPJDFFXHGH-MCBRBYCUSA-N

Formula

C22H34O3

SMILES

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

Molecular Weight¹

346.50

• 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	0.6025		Relay (... Calculated Property
ΔfG°	-73.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-702.59	kJ/mol	Relay (... Calculated Property
ΔfusH°	27.69	kJ/mol	Joback Calculated Property
ΔvapH°	106.66	kJ/mol	Relay (... Calculated Property
IE	8.89	eV	Relay (... Calculated Property
log10WS	-5.04		Relay (... Calculated Property
logPoct/wat	4.920		Crippen Calculated Property
McVol	286.410	ml/mol	McGowan Calculated Property
Pc	1464.61	kPa	Joback Calculated Property
Inp	[2673.33; 2685.16]
Inp	2673.33		NIST
Inp	2685.16		NIST
Inp	2673.33		NIST
Tboil	655.44	K	Relay (... Calculated Property
Tc	940.45	K	Relay (... Calculated Property
Tfus	400.96	K	Relay (... Calculated Property
Vc	1.027	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1041.52; 1213.47]	J/mol×K	[881.65; 1123.30]
Cp,gas	1041.52	J/mol×K	881.65	Joback Calculated Property
Cp,gas	1069.44	J/mol×K	921.93	Joback Calculated Property
Cp,gas	1097.22	J/mol×K	962.20	Joback Calculated Property
Cp,gas	1125.19	J/mol×K	1002.48	Joback Calculated Property
Cp,gas	1153.67	J/mol×K	1042.75	Joback Calculated Property
Cp,gas	1182.99	J/mol×K	1083.03	Joback Calculated Property
Cp,gas	1213.47	J/mol×K	1123.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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