ChemSpider 2D Image | 2-Propenoic-3-d acid, 3-(phenyl-d5)- | C9H2D6O2

2-Propenoic-3-d acid, 3-(phenyl-d5)-

  • Molecular FormulaC9H2D6O2
  • Average mass154.196 Da
  • Monoisotopic mass154.090088 Da
  • ChemSpider ID62928646
  • Non-standard isotope - Non-standard isotope


More details:






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

(2E)-3-(2H5)Phenyl(3-2H)-2-propenoic acid [ACD/IUPAC Name]
(2E)-3-(2H5)Phenyl(3-2H)-2-propensäure [German] [ACD/IUPAC Name]
2-Propenoic-3-d acid, 3-(phenyl-d5)-, (2E)- [ACD/Index Name]
2-Propenoic-3-d acid, 3-(phenyl-d5)-
91453-04-2 [RN]
Acide (2E)-3-(2H5)phényl(3-2H)-2-propénoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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