ChemSpider 2D Image | 4-[1-Carboxy(2,2,2-~2~H_3_)ethyl]benzoic acid | C10H7D3O4

4-[1-Carboxy(2,2,2-2H3)ethyl]benzoic acid

  • Molecular FormulaC10H7D3O4
  • Average mass197.202 Da
  • Monoisotopic mass197.076736 Da
  • ChemSpider ID77360642

  • Non-standard isotope - Non-standard isotope

More details:

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

4-[1-Carboxy(2,2,2-2H3)ethyl]benzoesäure [German] [ACD/IUPAC Name]
4-[1-Carboxy(2,2,2-2H3)ethyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[1-carboxy(2,2,2-2H3)éthyl]benzoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-carboxy-α-(methyl-d3)- [ACD/Index Name]
4-(1-Carboxyethyl-2,2,2-d3)benzoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 390.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 203.9±19.7 °C
Index of Refraction: 1.582
Molar Refractivity: 48.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 146.7±3.0 cm3

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