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_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.51	kJ/mol	Joback Calculated Property
log10WS	-5.25		Relay (1.0) Calculated Property
logPoct/wat	5.072		Crippen Calculated Property
McVol	277.630	ml/mol	McGowan Calculated Property
Inp	[2452.00; 2452.00]
Inp	2452.00		NIST
Inp	2452.00		NIST
Tfus	395.92	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[989.80; 1137.93]	J/mol×K	[835.48; 1064.33]
Cp,gas	989.80	J/mol×K	835.48	Joback Calculated Property
Cp,gas	1014.54	J/mol×K	873.62	Joback Calculated Property
Cp,gas	1038.86	J/mol×K	911.76	Joback Calculated Property
Cp,gas	1063.05	J/mol×K	949.91	Joback Calculated Property
Cp,gas	1087.42	J/mol×K	988.05	Joback Calculated Property
Cp,gas	1112.28	J/mol×K	1026.19	Joback Calculated Property
Cp,gas	1137.93	J/mol×K	1064.33	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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