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

InChI

InChI=1S/C23H29ClF2O4/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

NTWLOFARRRXNBY-QTJPOHIASA-N

Formula

C23H29ClF2O4

SMILES

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

Molecular Weight¹

442.92

• 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°	-527.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1081.54	kJ/mol	Joback Calculated Property
ΔfusH°	37.10	kJ/mol	Joback Calculated Property
ΔvapH°	86.06	kJ/mol	Joback Calculated Property
log10WS	-6.82		Crippen Calculated Property
logPoct/wat	5.750		Crippen Calculated Property
McVol	313.550	ml/mol	McGowan Calculated Property
Pc	1340.78	kPa	Joback Calculated Property
Inp	[2721.00; 2721.00]
Inp	2721.00		NIST
Inp	2721.00		NIST
Tboil	958.69	K	Joback Calculated Property
Tc	1194.41	K	Joback Calculated Property
Tfus	646.85	K	Joback Calculated Property
Vc	1.200	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1105.00; 1278.71]	J/mol×K	[958.69; 1194.41]
Cp,gas	1105.00	J/mol×K	958.69	Joback Calculated Property
Cp,gas	1130.64	J/mol×K	997.98	Joback Calculated Property
Cp,gas	1157.13	J/mol×K	1037.26	Joback Calculated Property
Cp,gas	1184.83	J/mol×K	1076.55	Joback Calculated Property
Cp,gas	1214.09	J/mol×K	1115.84	Joback Calculated Property
Cp,gas	1245.27	J/mol×K	1155.13	Joback Calculated Property
Cp,gas	1278.71	J/mol×K	1194.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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