Chemical Properties of L-Tyrosine, N-(trifluoroacetyl)-, butyl ester, trifluoroacetate (ester) (CAS 5282-98-4)

InChI

InChI=1S/C17H17F6NO5/c1-2-3-8-28-13(25)12(24-14(26)16(18,19)20)9-10-4-6-11(7-5-10)29-15(27)17(21,22)23/h4-7,12H,2-3,8-9H2,1H3,(H,24,26)/t12-/m1/s1

InChI Key

BFQHENRWMAGCOB-GFCCVEGCSA-N

Formula

C17H17F6NO5

SMILES

CCCCOC(=O)C(Cc1ccc(OC(=O)C(F)(F)F)cc1)NC(=O)C(F)(F)F

Molecular Weight¹

429.31

CAS

5282-98-4

Other Names

• Tyrosine, N-(trifluoroacetyl)-, butyl ester, trifluoroacetate (ester), L-
• Tyr, butyl ester, N(O)-TFA
• Tyr, butyl ester, N-TFA
• Tyr TFA Bu

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[814.11; 867.29]	J/mol×K	[829.42; 1021.80]
Cp,gas	814.11	J/mol×K	829.42	Joback Calculated Property
Cp,gas	825.32	J/mol×K	861.48	Joback Calculated Property
Cp,gas	835.53	J/mol×K	893.55	Joback Calculated Property
Cp,gas	844.78	J/mol×K	925.61	Joback Calculated Property
Cp,gas	853.12	J/mol×K	957.67	Joback Calculated Property
Cp,gas	860.61	J/mol×K	989.74	Joback Calculated Property
Cp,gas	867.29	J/mol×K	1021.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Tyrosine, N-(trifluoroacetyl)-, butyl ester, trifluoroacetate (ester).

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

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