Chemical Properties of Tyr, HFIP-PFP

Tyr, HFIP-PFP

InChI
InChI=1S/C18H9F16NO5/c19-13(20,17(29,30)31)11(37)35-8(9(36)40-10(15(23,24)25)16(26,27)28)5-6-1-3-7(4-2-6)39-12(38)14(21,22)18(32,33)34/h1-4,8,10H,5H2,(H,35,37)
InChI Key
YJHBADMGEIKSNX-UHFFFAOYSA-N
Formula
C18H9F16NO5
SMILES
O=C(OC(C(F)(F)F)C(F)(F)F)C(Cc1ccc(OC(=O)C(F)(F)C(F)(F)F)cc1)NC(=O)C(F)(F)C(F)(F)F
Molecular Weight1
623.24
Other Names
  • Tyrosine, HFIP-PFP
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Physical Properties

Property Value Unit Source
ΔfusH° 49.21 kJ/mol Joback Calculated Property
logPoct/wat 5.051 Crippen Calculated Property
McVol 295.470 ml/mol McGowan Calculated Property
Inp [1301.00; 1301.00]   Show Hide
Inp 1301.00 NIST
Inp 1301.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [504.20; 991.54] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.88590e+01
Coefficient B2.46940e+00
Coefficient C-2.05986e-03
Coefficient D6.10860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 504.20 J/mol×K 273.00 Calculated Property
Cp,gas 614.00 J/mol×K 353.78 Calculated Property
Cp,gas 705.38 J/mol×K 434.56 Calculated Property
Cp,gas 780.27 J/mol×K 515.33 Calculated Property
Cp,gas 840.61 J/mol×K 596.11 Calculated Property
Cp,gas 888.32 J/mol×K 676.89 Calculated Property
Cp,gas 925.33 J/mol×K 757.67 Calculated Property
Cp,gas 953.59 J/mol×K 838.44 Calculated Property
Cp,gas 975.01 J/mol×K 919.22 Calculated Property
Cp,gas 991.54 J/mol×K 1000.00 Calculated Property

Similar Compounds

DOPA, HFIP-PFP. Dihydroxyphenylalanine, TFE-PFP. tyrosine, trifluoroacetyl-isopropyl ester. Phe, HFIP-PFP. L-Tyrosine, N,O-di(trifluoroacetyl)-, 2,2,3,3,3-pentafluoropropyl ester. L-Tyrosine, N-(trifluoroacetyl)-, butyl ester, trifluoroacetate (ester). Phe,TFE-PFP. Cialis. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). N6-TMS-2'-Deoxyadenosine, 3'-O-acetyl, 5'-O-TBDMS. 6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

Find more compounds similar to Tyr, HFIP-PFP.

Sources

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