ChemSpider 2D Image | 5-Cyano-2,4-difluorobenzoic acid | C8H3F2NO2

5-Cyano-2,4-difluorobenzoic acid

  • Molecular FormulaC8H3F2NO2
  • Average mass183.112 Da
  • Monoisotopic mass183.013184 Da
  • ChemSpider ID49559494

More details:

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

5-Cyan-2,4-difluorbenzoesäure [German] [ACD/IUPAC Name]
5-Cyano-2,4-difluorobenzoic acid [ACD/IUPAC Name]
Acide 5-cyano-2,4-difluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-cyano-2,4-difluoro- [ACD/Index Name]
1378788-81-8 [RN]
MFCD19440208

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

Density: 1.5±0.1 g/cm3
Boiling Point: 311.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.3±3.0 kJ/mol
Flash Point: 142.0±27.9 °C
Index of Refraction: 1.540
Molar Refractivity: 37.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 61 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 120.6±5.0 cm3

Click to predict properties on the Chemicalize site


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