ChemSpider 2D Image | Diethyl 1,3-(~2~H_4_)benzenedicarboxylate | C12H10D4O4

Diethyl 1,3-(2H4)benzenedicarboxylate

  • Molecular FormulaC12H10D4O4
  • Average mass226.262 Da
  • Monoisotopic mass226.114319 Da
  • ChemSpider ID8596670

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-(2H4)Benzènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
1,3-Benzene-d4-dicarboxylic acid, diethyl ester [ACD/Index Name]
Diethyl 1,3-(2H4)benzenedicarboxylate [ACD/IUPAC Name]
Diethyl-1,3-(2H4)benzoldicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 302.0±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.2±3.0 kJ/mol
Flash Point: 157.7±8.5 °C
Index of Refraction: 1.508
Molar Refractivity: 59.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 109.19
ACD/KOC (pH 5.5): 1001.28
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 109.19
ACD/KOC (pH 7.4): 1001.28
Polar Surface Area: 53 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 198.2±3.0 cm3

Click to predict properties on the Chemicalize site


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