ChemSpider 2D Image | Phenyl (2,2,3-~2~H_3_)heptanoate | C13H15D3O2

Phenyl (2,2,3-2H3)heptanoate

  • Molecular FormulaC13H15D3O2
  • Average mass209.299 Da
  • Monoisotopic mass209.149506 Da
  • ChemSpider ID9991274

  • Non-standard isotope - Non-standard isotope

More details:

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

(2,2,3-2H3)Heptanoate de phényle [French] [ACD/IUPAC Name]
Heptanoic-2,2,3-d3 acid, phenyl ester [ACD/Index Name]
Phenyl (2,2,3-2H3)heptanoate [ACD/IUPAC Name]
Phenyl-(2,2,3-2H3)heptanoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 285.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.4±3.0 kJ/mol
Flash Point: 104.3±7.7 °C
Index of Refraction: 1.492
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1462.02
ACD/KOC (pH 5.5): 6413.14
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1462.02
ACD/KOC (pH 7.4): 6413.14
Polar Surface Area: 26 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 209.6±3.0 cm3

Click to predict properties on the Chemicalize site


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