ChemSpider 2D Image | DIATRIZOATE ETHYL | C13H13I3N2O4

DIATRIZOATE ETHYL

  • Molecular FormulaC13H13I3N2O4
  • Average mass641.967 Da
  • Monoisotopic mass641.800903 Da
  • ChemSpider ID15707

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2168-75-4 [RN]
3,5-Diacétamido-2,4,6-triiodobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, ethyl ester [ACD/Index Name]
DIATRIZOATE ETHYL
Ethyl 3,5-diacetamido-2,4,6-triiodobenzoate [ACD/IUPAC Name]
Ethyl-3,5-diacetamido-2,4,6-triiodbenzoat [German] [ACD/IUPAC Name]
3,5-Bis-acetylamino-2,4,6-triiodo-benzoic acid ethyl ester
3,5-diacetamido-2,4,6-triiodobenzoic acid ethyl ester
3,5-diacetamido-2,4,6-triiodo-benzoic acid ethyl ester
Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, ethyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

85KD8I5N2U [DBID]
UNII:85KD8I5N2U [DBID]
UNII-85KD8I5N2U [DBID]
WIN 05316 [DBID]
Win 8883 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.3±0.1 g/cm3
Boiling Point: 611.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.7±31.5 °C
Index of Refraction: 1.727
Molar Refractivity: 109.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.86
ACD/KOC (pH 5.5): 704.84
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.86
ACD/KOC (pH 7.4): 704.80
Polar Surface Area: 85 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 276.2±3.0 cm3

Click to predict properties on the Chemicalize site


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