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

InChI

InChI=1S/C30H26F12O4/c1-26-9-7-13(45-25(44)28(36,37)29(38,39)30(40,41)42)11-12(26)3-4-14-15-5-6-17(27(15,2)10-8-16(14)26)46-24(43)18-19(31)21(33)23(35)22(34)20(18)32/h7,11,14-17H,3-6,8-10H2,1-2H3/t14?,15?,16?,17-,26-,27-/m1/s1

InChI Key

VQRFVWKMQHJHEY-RIUZPASXSA-N

Formula

C30H26F12O4

SMILES

CC12CC=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C=C1CCC1C2CCC2(C)C(OC(=O)c3c(F)c(F)c(F)c(F)c3F)CCC12

Molecular Weight¹

678.51

• 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°	-2334.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-3009.70	kJ/mol	Joback Calculated Property
ΔfusH°	59.10	kJ/mol	Joback Calculated Property
ΔvapH°	92.08	kJ/mol	Joback Calculated Property
log10WS	-11.42		Crippen Calculated Property
logPoct/wat	8.740		Crippen Calculated Property
McVol	393.880	ml/mol	McGowan Calculated Property
Pc	806.16	kPa	Joback Calculated Property
Inp	[3020.00; 3020.00]
Inp	3020.00		NIST
Inp	3020.00		NIST
Tboil	1119.24	K	Joback Calculated Property
Tc	1377.75	K	Joback Calculated Property
Tfus	795.58	K	Joback Calculated Property
Vc	1.593	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1515.04; 1790.21]	J/mol×K	[1119.24; 1377.75]
Cp,gas	1515.04	J/mol×K	1119.24	Joback Calculated Property
Cp,gas	1551.62	J/mol×K	1162.32	Joback Calculated Property
Cp,gas	1591.18	J/mol×K	1205.41	Joback Calculated Property
Cp,gas	1634.27	J/mol×K	1248.49	Joback Calculated Property
Cp,gas	1681.44	J/mol×K	1291.58	Joback Calculated Property
Cp,gas	1733.24	J/mol×K	1334.66	Joback Calculated Property
Cp,gas	1790.21	J/mol×K	1377.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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