Chemical Properties of Dihydroxyphenylalanine, TFE-PFP

Dihydroxyphenylalanine, TFE-PFP

InChI
InChI=1S/C20H9F18NO7/c21-14(22,23)5-44-10(40)7(39-11(41)15(24,25)18(30,31)32)3-6-1-2-8(45-12(42)16(26,27)19(33,34)35)9(4-6)46-13(43)17(28,29)20(36,37)38/h1-2,4,7H,3,5H2,(H,39,41)
InChI Key
GFFAEDKYDRYONH-UHFFFAOYSA-N
Formula
C20H9F18NO7
SMILES
O=C(OCC(F)(F)F)C(Cc1ccc(OC(=O)C(F)(F)C(F)(F)F)c(OC(=O)C(F)(F)C(F)(F)F)c1)NC(=O)C(F)(F)C(F)(F)F
Molecular Weight1
717.26
Other Names
  • DOPA, TFE-PFP
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Physical Properties

Property Value Unit Source
ΔfusH° 60.64 kJ/mol Joback Calculated Property
logPoct/wat 5.223 Crippen Calculated Property
McVol 334.630 ml/mol McGowan Calculated Property
Inp [1548.00; 1548.00]   Show Hide
Inp 1548.00 NIST
Inp 1548.00 NIST
Inp 1548.00 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 [580.76; 1114.86] 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-1.57800e+00
Coefficient B2.68860e+00
Coefficient C-2.20842e-03
Coefficient D6.36260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 580.76 J/mol×K 273.00 Calculated Property
Cp,gas 701.36 J/mol×K 353.78 Calculated Property
Cp,gas 801.95 J/mol×K 434.56 Calculated Property
Cp,gas 884.54 J/mol×K 515.33 Calculated Property
Cp,gas 951.14 J/mol×K 596.11 Calculated Property
Cp,gas 1003.78 J/mol×K 676.89 Calculated Property
Cp,gas 1044.46 J/mol×K 757.67 Calculated Property
Cp,gas 1075.19 J/mol×K 838.44 Calculated Property
Cp,gas 1097.99 J/mol×K 919.22 Calculated Property
Cp,gas 1114.86 J/mol×K 1000.00 Calculated Property

Similar Compounds

DOPA, HFIP-PFP. Tyr, HFIP-PFP. L-Tyrosine, N,O-di(trifluoroacetyl)-, 2,2,3,3,3-pentafluoropropyl ester. L-Tyrosine, N-(trifluoroacetyl)-, butyl ester, trifluoroacetate (ester). Cialis. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. tyrosine, trifluoroacetyl-isopropyl ester. Neopine. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Deserpidine. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Brucine.

Find more compounds similar to Dihydroxyphenylalanine, TFE-PFP.

Sources

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