Chemical Properties of Dehydroepiandrosterone, TFA

InChI

InChI=1S/C21H27F3O3/c1-19-9-7-13(27-18(26)21(22,23)24)11-12(19)3-4-14-15-5-6-17(25)20(15,2)10-8-16(14)19/h3,13-16H,4-11H2,1-2H3/t13-,14?,15?,16?,19-,20-/m1/s1

InChI Key

DDDJCSCTQYHRFY-WMROHYBTSA-N

Formula

C21H27F3O3

SMILES

CC12CCC3C(CC=C4CC(OC(=O)C(F)(F)F)CCC43C)C1CCC2=O

Molecular Weight¹

384.43

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[967.33; 1117.84]	J/mol×K	[862.16; 1094.91]
Cp,gas	967.33	J/mol×K	862.16	Joback Calculated Property
Cp,gas	991.42	J/mol×K	900.95	Joback Calculated Property
Cp,gas	1015.48	J/mol×K	939.74	Joback Calculated Property
Cp,gas	1039.83	J/mol×K	978.53	Joback Calculated Property
Cp,gas	1064.79	J/mol×K	1017.32	Joback Calculated Property
Cp,gas	1090.69	J/mol×K	1056.12	Joback Calculated Property
Cp,gas	1117.84	J/mol×K	1094.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dehydroepiandrosterone, TFA.

Sources

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

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