ChemSpider 2D Image | 3-Cyano-4-[(1,1,1-~2~H_3_)-2-propanyloxy]benzoic acid | C11H8D3NO3

3-Cyano-4-[(1,1,1-2H3)-2-propanyloxy]benzoic acid

  • Molecular FormulaC11H8D3NO3
  • Average mass208.228 Da
  • Monoisotopic mass208.092728 Da
  • ChemSpider ID111411832

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Cyan-4-[(1,1,1-2H3)-2-propanyloxy]benzoesäure [German] [ACD/IUPAC Name]
3-Cyano-4-[(1,1,1-2H3)-2-propanyloxy]benzoic acid [ACD/IUPAC Name]
Acide 3-cyano-4-[(1,1,1-2H3)-2-propanyloxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-cyano-4-[(1-methylethyl-2,2,2-d3)oxy]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 371.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 178.4±23.7 °C
Index of Refraction: 1.551
Molar Refractivity: 53.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 15.61
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 166.8±5.0 cm3

Click to predict properties on the Chemicalize site


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