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

InChI

InChI=1S/C25H26F10O4/c1-20-9-7-13(38-19(37)23(28,29)30)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)39-18(36)22(26,27)24(31,32)25(33,34)35/h7,11,14-17H,3-6,8-10H2,1-2H3/t14?,15?,16?,17-,20-,21-/m1/s1

InChI Key

DPGMREAWYQAVHZ-FVLSIOMWSA-N

Formula

C25H26F10O4

SMILES

CC12CC=C(OC(=O)C(F)(F)F)C=C1CCC1C2CCC2(C)C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC12

Molecular Weight¹

580.46

• 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	0.6920		Relay (... Calculated Property
ΔfG°	-2048.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-2796.52	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.48	kJ/mol	Joback Calculated Property
ΔvapH°	113.70	kJ/mol	Relay (... Calculated Property
IE	9.19	eV	Relay (... Calculated Property
log10WS	-8.22		Relay (... Calculated Property
logPoct/wat	7.293		Crippen Calculated Property
McVol	343.650	ml/mol	McGowan Calculated Property
Pc	983.31	kPa	Joback Calculated Property
Inp	[2392.00; 2392.00]
Inp	2392.00		NIST
Inp	2392.00		NIST
Tboil	638.84	K	Relay (... Calculated Property
Tc	870.94	K	Relay (... Calculated Property
Tfus	383.43	K	Relay (... Calculated Property
Vc	1.275	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1255.90; 1416.28]	J/mol×K	[951.49; 1166.61]
Cp,gas	1255.90	J/mol×K	951.49	Joback Calculated Property
Cp,gas	1279.39	J/mol×K	987.34	Joback Calculated Property
Cp,gas	1303.71	J/mol×K	1023.20	Joback Calculated Property
Cp,gas	1329.22	J/mol×K	1059.05	Joback Calculated Property
Cp,gas	1356.25	J/mol×K	1094.90	Joback Calculated Property
Cp,gas	1385.16	J/mol×K	1130.76	Joback Calculated Property
Cp,gas	1416.28	J/mol×K	1166.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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