Chemical Properties of Testosterone, 3-TFA, 17«beta»-Ac

InChI

InChI=1S/C23H29F3O4/c1-13(27)29-19-7-6-17-16-5-4-14-12-15(30-20(28)23(24,25)26)8-10-21(14,2)18(16)9-11-22(17,19)3/h8,12,16-19H,4-7,9-11H2,1-3H3/t16?,17?,18?,19-,21-,22-/m1/s1

InChI Key

PHVSTCDRRTYTLL-QTJPOHIASA-N

Formula

C23H29F3O4

SMILES

CC(=O)OC1CCC2C3CCC4=CC(OC(=O)C(F)(F)F)=CCC4(C)C3CCC12C

Molecular Weight¹

426.47

• 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°	-709.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1261.91	kJ/mol	Joback Calculated Property
ΔfusH°	35.98	kJ/mol	Joback Calculated Property
ΔvapH°	80.86	kJ/mol	Joback Calculated Property
log10WS	-6.52		Crippen Calculated Property
logPoct/wat	5.480		Crippen Calculated Property
McVol	303.080	ml/mol	McGowan Calculated Property
Pc	1332.96	kPa	Joback Calculated Property
Inp	[2520.00; 2520.00]
Inp	2520.00		NIST
Inp	2520.00		NIST
Tboil	920.53	K	Joback Calculated Property
Tc	1146.67	K	Joback Calculated Property
Tfus	617.52	K	Joback Calculated Property
Vc	1.169	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1079.11; 1237.44]	J/mol×K	[920.53; 1146.67]
Cp,gas	1079.11	J/mol×K	920.53	Joback Calculated Property
Cp,gas	1103.37	J/mol×K	958.22	Joback Calculated Property
Cp,gas	1128.06	J/mol×K	995.91	Joback Calculated Property
Cp,gas	1153.50	J/mol×K	1033.60	Joback Calculated Property
Cp,gas	1180.01	J/mol×K	1071.29	Joback Calculated Property
Cp,gas	1207.88	J/mol×K	1108.98	Joback Calculated Property
Cp,gas	1237.44	J/mol×K	1146.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Testosterone, 3-TFA, 17«beta»-Ac.

Sources

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

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