ChemSpider 2D Image | 3-[1-Cyano(2-~2~H_1_)ethyl]benzoic acid | C10H8DNO2

3-[1-Cyano(2-2H1)ethyl]benzoic acid

  • Molecular FormulaC10H8DNO2
  • Average mass176.190 Da
  • Monoisotopic mass176.069611 Da
  • ChemSpider ID77360498

  • Non-standard isotope - Non-standard isotope

More details:

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

3-[1-Cyan(2-2H1)ethyl]benzoesäure [German] [ACD/IUPAC Name]
3-[1-Cyano(2-2H1)ethyl]benzoic acid [ACD/IUPAC Name]
Acide 3-[1-cyano(2-2H1)éthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(1-cyanoethyl-2-d)- [ACD/Index Name]
3-(1-Cyanoethyl-2-d)benzoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 355.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 169.0±23.2 °C
Index of Refraction: 1.564
Molar Refractivity: 47.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.22
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 61 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 145.4±3.0 cm3

Click to predict properties on the Chemicalize site


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