ChemSpider 2D Image | 3,5-Difluoro(~2~H_3_)benzoic acid | C7HD3F2O2

3,5-Difluoro(2H3)benzoic acid

  • Molecular FormulaC7HD3F2O2
  • Average mass161.121 Da
  • Monoisotopic mass161.036758 Da
  • ChemSpider ID24532193

  • Non-standard isotope - Non-standard isotope

More details:

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

3,5-Difluor(2H3)benzoesäure [German] [ACD/IUPAC Name]
3,5-Difluoro(2H3)benzoic acid [ACD/IUPAC Name]
Acide 3,5-difluoro(2H3)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,4,6-d3 acid, 3,5-difluoro- [ACD/Index Name]
3,5-Difluorobenzoic-d3 Acid
934397-71-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 243.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 100.9±21.8 °C
Index of Refraction: 1.513
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: 2.47
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.81
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 110.4±3.0 cm3

Click to predict properties on the Chemicalize site


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