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

InChI

InChI=1S/C31H26F22O4/c1-20-9-7-13(56-18(54)23(34,35)25(38,39)30(48,49)50)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)57-19(55)22(32,33)24(36,37)26(40,41)27(42,43)28(44,45)29(46,47)31(51,52)53/h7,11,14-17H,3-6,8-10H2,1-2H3/t14?,15?,16?,17-,20-,21-/m1/s1

InChI Key

RFVFRSOMSJOGTE-FVLSIOMWSA-N

Formula

C31H26F22O4

SMILES

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

Molecular Weight¹

880.50

• 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°	-4318.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-5231.87	kJ/mol	Joback Calculated Property
ΔfusH°	48.49	kJ/mol	Joback Calculated Property
ΔvapH°	71.48	kJ/mol	Joback Calculated Property
log10WS	-13.05		Crippen Calculated Property
logPoct/wat	11.105		Crippen Calculated Property
McVol	449.430	ml/mol	McGowan Calculated Property
Pc	569.33	kPa	Joback Calculated Property
Inp	[2625.00; 2625.00]
Inp	2625.00		NIST
Inp	2625.00		NIST
Tboil	1060.63	K	Joback Calculated Property
Tc	1329.83	K	Joback Calculated Property
Tfus	740.67	K	Joback Calculated Property
Vc	1.859	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1738.42; 2058.69]	J/mol×K	[1060.63; 1329.83]
Cp,gas	1738.42	J/mol×K	1060.63	Joback Calculated Property
Cp,gas	1777.40	J/mol×K	1105.50	Joback Calculated Property
Cp,gas	1820.83	J/mol×K	1150.36	Joback Calculated Property
Cp,gas	1869.69	J/mol×K	1195.23	Joback Calculated Property
Cp,gas	1924.96	J/mol×K	1240.10	Joback Calculated Property
Cp,gas	1987.63	J/mol×K	1284.96	Joback Calculated Property
Cp,gas	2058.69	J/mol×K	1329.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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