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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [414.87; 449.28] J/mol×K [981.09; 1278.03] Show Hide
Cp,gas 414.87 J/mol×K 981.09 Joback Calculated Property
Cp,gas 420.77 J/mol×K 1030.58 Joback Calculated Property
Cp,gas 426.43 J/mol×K 1080.07 Joback Calculated Property
Cp,gas 431.99 J/mol×K 1129.56 Joback Calculated Property
Cp,gas 437.57 J/mol×K 1179.05 Joback Calculated Property
Cp,gas 443.29 J/mol×K 1228.54 Joback Calculated Property
Cp,gas 449.28 J/mol×K 1278.03 Joback 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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