ChemSpider 2D Image | 4,5-Dicyanonicotinic acid | C8H3N3O2

4,5-Dicyanonicotinic acid

  • Molecular FormulaC8H3N3O2
  • Average mass173.128 Da
  • Monoisotopic mass173.022522 Da
  • ChemSpider ID61283679

More details:

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

3-Pyridinecarboxylic acid, 4,5-dicyano- [ACD/Index Name]
4,5-Dicyannicotinsäure [German] [ACD/IUPAC Name]
4,5-Dicyanonicotinic acid [ACD/IUPAC Name]
Acide 4,5-dicyanonicotinique [French] [ACD/IUPAC Name]
147432-88-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 447.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 224.1±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 40.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 96.6±5.0 dyne/cm
Molar Volume: 113.8±5.0 cm3

Click to predict properties on the Chemicalize site


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