Chemical Properties of 3-ACETAMIDO-2,4,6-TRIIODOBENZOIC ACID

3-ACETAMIDO-2,4,6-TRIIODOBENZOIC ACID

InChI
InChI=1S/C9H6I3NO3/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16/h2H,1H3,(H,13,14)(H,15,16)
InChI Key
GNOGSFBXBWBTIG-UHFFFAOYSA-N
Formula
C9H6I3NO3
SMILES
CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I
Molecular Weight1
556.86
Other Names
  • Acetrizoic acid
  • 3-Acetamino-2,4,6-triiodobenzoic acid
  • Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-
  • Benzoic acid, 3-acetamido-2,4,6-triiodo-
  • 3-(Acetylamino)-2,4,6-triiodobenzoic acid
  • Acido 3-acetilamino-2,4,6-triiodobenzoico
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Physical Properties

Property Value Unit Source
ΔfusH° 41.61 kJ/mol Joback Calculated Property
log10WS -3.79 Relay (1.0) Calculated Property
logPoct/wat 3.157 Crippen Calculated Property
McVol 210.360 ml/mol McGowan Calculated Property

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 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 [231.32; 417.16] 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 A6.38200e+01
Coefficient B7.57920e-01
Coefficient C-5.75540e-04
Coefficient D1.70960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 231.32 J/mol×K 273.00 Calculated Property
Cp,gas 267.49 J/mol×K 353.78 Calculated Property
Cp,gas 298.52 J/mol×K 434.56 Calculated Property
Cp,gas 324.95 J/mol×K 515.33 Calculated Property
Cp,gas 347.32 J/mol×K 596.11 Calculated Property
Cp,gas 366.17 J/mol×K 676.89 Calculated Property
Cp,gas 382.04 J/mol×K 757.67 Calculated Property
Cp,gas 395.46 J/mol×K 838.44 Calculated Property
Cp,gas 406.99 J/mol×K 919.22 Calculated Property
Cp,gas 417.16 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diatrizoic acid. iopromide. Uridine, 3'-O-TBDMS. O,O,O-Tris(tert-butyldimethylsilyl)uridine. Uridine, 2'-O-TBDMS, 3',5'-bis-O-TMS. 2',5'-Bis-(trimethylsiloxy)-3'-(tert-butyldimethylsiloxy)-uridine. Uridine, 3',5'-bis-O-TBDMS. Uridine, 2',3'-bis-O-TBDMS. Uridine, 2'-O-TMS, 3',5'-bis-TBDMS. Uridine, 2',3'-bis-O-TBDMS, 5'-O-TMS. 2',3'-Bis-(trimethylsiloxy)-5'-(tert-butyldimethylsiloxy)-uridine. 5-Methyluridine. Uridine, 2',5'-bis-O-TBDMS, 3'-O-TMS. 2-Naphthanilide, 3'-chloro-4-[4-diethylamino-o-tolylimino]-1,4-dihydro-1-oxo-. Uridine, 2',3',5'-tris-o-(trimethylsilyl)-.

Find more compounds similar to 3-ACETAMIDO-2,4,6-TRIIODOBENZOIC ACID.

Sources

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