Chemical Properties of Epi-testosterone, 3-HFB, 17«beta»-Ac

InChI

InChI=1S/C25H29F7O4/c1-13(33)35-19-7-6-17-16-5-4-14-12-15(8-10-21(14,2)18(16)9-11-22(17,19)3)36-20(34)23(26,27)24(28,29)25(30,31)32/h8,12,16-19H,4-7,9-11H2,1-3H3/t16?,17?,18?,19-,21-,22-/m1/s1

InChI Key

NTZWSZQHFGGWDX-QTJPOHIASA-N

Formula

C25H29F7O4

SMILES

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

Molecular Weight¹

526.48

• 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	0.6873		Relay (... Calculated Property
ΔfG°	-1466.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-2237.30	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.65	kJ/mol	Joback Calculated Property
ΔvapH°	115.73	kJ/mol	Relay (... Calculated Property
IE	8.69	eV	Relay (... Calculated Property
log10WS	-7.38		Relay (... Calculated Property
logPoct/wat	6.751		Crippen Calculated Property
McVol	338.340	ml/mol	McGowan Calculated Property
Pc	1058.95	kPa	Joback Calculated Property
Inp	[2547.00; 2547.00]
Inp	2547.00		NIST
Inp	2547.00		NIST
Tboil	652.32	K	Relay (... Calculated Property
Tc	884.80	K	Relay (... Calculated Property
Tfus	372.62	K	Relay (... Calculated Property
Vc	1.240	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1236.02; 1403.62]	J/mol×K	[956.91; 1176.82]
Cp,gas	1236.02	J/mol×K	956.91	Joback Calculated Property
Cp,gas	1260.76	J/mol×K	993.56	Joback Calculated Property
Cp,gas	1286.32	J/mol×K	1030.21	Joback Calculated Property
Cp,gas	1313.04	J/mol×K	1066.86	Joback Calculated Property
Cp,gas	1341.27	J/mol×K	1103.51	Joback Calculated Property
Cp,gas	1371.35	J/mol×K	1140.17	Joback Calculated Property
Cp,gas	1403.62	J/mol×K	1176.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Epi-testosterone, 3-HFB, 17«beta»-Ac.

Sources

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

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