Chemical Properties of L-tyrosine, n-benzoyl-3,5-diiodo-, ethyl ester

L-tyrosine, n-benzoyl-3,5-diiodo-, ethyl ester

InChI
InChI=1S/C18H17I2NO4/c1-2-25-18(24)15(21-17(23)12-6-4-3-5-7-12)10-11-8-13(19)16(22)14(20)9-11/h3-9,15,22H,2,10H2,1H3,(H,21,23)
InChI Key
LMPGZRBXGQHUBL-UHFFFAOYSA-N
Formula
C18H17I2NO4
SMILES
CCOC(=O)C(Cc1cc(I)c(O)c(I)c1)NC(=O)c1ccccc1
Molecular Weight1
565.15
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Physical Properties

Property Value Unit Source
ω 0.8585 Relay (1.0) Calculated Property
ΔfusH° 51.82 kJ/mol Joback Calculated Property
ΔvapH° 134.98 kJ/mol Relay (1.0) Calculated Property
IE 8.23 eV Relay (1.0) Calculated Property
log10WS -5.00 Relay (1.0) Calculated Property
logPoct/wat 3.506 Crippen Calculated Property
McVol 293.460 ml/mol McGowan Calculated Property
Pc 2224.99 kPa Joback Calculated Property
Tboil 677.47 K Relay (1.0) Calculated Property
Tc 1034.94 K Relay (1.0) Calculated Property
Tfus 397.61 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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 [362.09; 780.15] 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-8.34800e+00
Coefficient B1.66892e+00
Coefficient C-1.24138e-03
Coefficient D3.60960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 362.09 J/mol×K 273.00 Calculated Property
Cp,gas 442.69 J/mol×K 353.78 Calculated Property
Cp,gas 512.09 J/mol×K 434.56 Calculated Property
Cp,gas 571.43 J/mol×K 515.33 Calculated Property
Cp,gas 621.85 J/mol×K 596.11 Calculated Property
Cp,gas 664.50 J/mol×K 676.89 Calculated Property
Cp,gas 700.51 J/mol×K 757.67 Calculated Property
Cp,gas 731.03 J/mol×K 838.44 Calculated Property
Cp,gas 757.20 J/mol×K 919.22 Calculated Property
Cp,gas 780.15 J/mol×K 1000.00 Calculated Property

Similar Compounds

l-Tyrosine, N,O-bis(2,3,4-trifluorobenzoyl)-, methyl ester. L-Phenylalanine, N-(o-anisoyl)-, methyl ester. 5,6-Dihydrouracil riboside, TMS. norbormide. tryptophan, trifluoroacetyl-isopropyl ester. acetylepibaptifoline. TCN. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Prajmaline. PACLITAXEL. DIHYDROERGOKRYPTINE. [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»)-. Xanthine riboside, TMS. Methyldesorphine. 3-propionyl-morphine.

Find more compounds similar to L-tyrosine, n-benzoyl-3,5-diiodo-, ethyl ester.

Sources

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