Chemical Properties of 5«alpha»-Dihydrotestosterone, TFA

InChI

InChI=1S/C21H29F3O3/c1-19-9-7-13(25)11-12(19)3-4-14-15-5-6-17(27-18(26)21(22,23)24)20(15,2)10-8-16(14)19/h12,14-17H,3-11H2,1-2H3/t12-,14?,15?,16?,17-,19-,20-/m1/s1

InChI Key

AYUZWLNATSWAPQ-IYPJGBBRSA-N

Formula

C21H29F3O3

SMILES

CC12CCC(=O)CC1CCC1C2CCC2(C)C(OC(=O)C(F)(F)F)CCC12

Molecular Weight¹

386.45

• 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°	-663.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1226.49	kJ/mol	Joback Calculated Property
ΔfusH°	26.93	kJ/mol	Joback Calculated Property
ΔvapH°	69.28	kJ/mol	Joback Calculated Property
log10WS	-5.66		Crippen Calculated Property
logPoct/wat	5.072		Crippen Calculated Property
McVol	277.630	ml/mol	McGowan Calculated Property
Pc	1442.44	kPa	Joback Calculated Property
Inp	[2452.00; 2452.00]
Inp	2452.00		NIST
Inp	2452.00		NIST
Tboil	853.35	K	Joback Calculated Property
Tc	1083.86	K	Joback Calculated Property
Tfus	560.24	K	Joback Calculated Property
Vc	1.067	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[999.23; 1152.12]	J/mol×K	[853.35; 1083.86]
Cp,gas	999.23	J/mol×K	853.35	Joback Calculated Property
Cp,gas	1024.27	J/mol×K	891.77	Joback Calculated Property
Cp,gas	1049.07	J/mol×K	930.19	Joback Calculated Property
Cp,gas	1073.95	J/mol×K	968.60	Joback Calculated Property
Cp,gas	1099.21	J/mol×K	1007.02	Joback Calculated Property
Cp,gas	1125.16	J/mol×K	1045.44	Joback Calculated Property
Cp,gas	1152.12	J/mol×K	1083.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5«alpha»-Dihydrotestosterone, TFA.

Sources

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

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