ChemSpider 2D Image | 2-(Ethoxycarbonyl)(~2~H_4_)benzoic acid | C10H6D4O4

2-(Ethoxycarbonyl)(2H4)benzoic acid

  • Molecular FormulaC10H6D4O4
  • Average mass198.209 Da
  • Monoisotopic mass198.083023 Da
  • ChemSpider ID24533813

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzene-d4-dicarboxylic acid, monoethyl ester [ACD/Index Name]
2-(Ethoxycarbonyl)(2H4)benzoesäure [German] [ACD/IUPAC Name]
2-(Ethoxycarbonyl)(2H4)benzoic acid [ACD/IUPAC Name]
Acide 2-(éthoxycarbonyl)(2H4)benzoïque [French] [ACD/IUPAC Name]
1219806-03-7 [RN]
2,3,4,5-tetradeuterio-6-ethoxycarbonylbenzoic acid
Ethyl hydrogen phthalate
mono-Ethyl Phthalate-3,4,5,6-d4
MONOETHYL PHTHALATE-D4
Phthalic acid mono ethyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 339.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.5±3.0 kJ/mol
Flash Point: 135.3±16.7 °C
Index of Refraction: 1.547
Molar Refractivity: 49.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.10
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 156.4±3.0 cm3

Click to predict properties on the Chemicalize site


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