ChemSpider 2D Image | (3,5-~2~H_2_)Benzoic acid | C7H4D2O2

(3,5-2H2)Benzoic acid

  • Molecular FormulaC7H4D2O2
  • Average mass124.134 Da
  • Monoisotopic mass124.049332 Da
  • ChemSpider ID23940257
  • Non-standard isotope - Non-standard isotope


More details:






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

(3,5-2H2)Benzoesäure [German] [ACD/IUPAC Name]
(3,5-2H2)Benzoic acid [ACD/IUPAC Name]
Acide (3,5-2H2)benzoïque [French] [ACD/IUPAC Name]
Benzoic-3,5-d2 acid [ACD/Index Name]
37960-84-2 [RN]
Benzenecarboxylic acid
Benzoic-3,5-d2 Acid
Benzoic-3,5-d2acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 249.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 51.4±3.0 kJ/mol
Flash Point: 121.1±0.0 °C
Index of Refraction: 1.564
Molar Refractivity: 33.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.12
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 102.0±3.0 cm3

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