ChemSpider 2D Image | 3-(~2~H_5_)Phenylacrylic acid | C9H3D5O2

3-(2H5)Phenylacrylic acid

  • Molecular FormulaC9H3D5O2
  • Average mass153.189 Da
  • Monoisotopic mass153.083817 Da
  • ChemSpider ID57579056

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Propenoic acid, 3-(phenyl-d5)- [ACD/Index Name]
3-(2H5)Phenylacrylic acid [ACD/IUPAC Name]
3-(2H5)Phenylacrylsäure [German] [ACD/IUPAC Name]
Acide 3-(2H5)phénylacrylique [French] [ACD/IUPAC Name]
352431-48-2 [RN]
TRANS-CINNAMIC-D5 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: 265.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 189.5±9.6 °C
Index of Refraction: 1.616
Molar Refractivity: 43.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 28.16
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 125.0±3.0 cm3

Click to predict properties on the Chemicalize site


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