ChemSpider 2D Image | (O,2,6-~2~H_3_)Benzoic acid | C7H3D3O2

(O,2,6-2H3)Benzoic acid

  • Molecular FormulaC7H3D3O2
  • Average mass125.140 Da
  • Monoisotopic mass125.055611 Da
  • ChemSpider ID29785480
  • Non-standard isotope - Non-standard isotope


More details:






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

(O,2,6-2H3)Benzoesäure [German] [ACD/IUPAC Name]
(O,2,6-2H3)Benzoic acid [ACD/IUPAC Name]
Acide (O,2,6-2H3)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,6-d2 acid-d [ACD/Index Name]
1632316-05-2 [RN]
Benzoic acid [ACD/Index Name] [ACD/IUPAC Name] [USP] [Wiki]

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

MFCD00002398 [DBID]

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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