ChemSpider 2D Image | Phenyl(~2~H)propanedioic acid | C9H7DO4

Phenyl(2H)propanedioic acid

  • Molecular FormulaC9H7DO4
  • Average mass181.164 Da
  • Monoisotopic mass181.048538 Da
  • ChemSpider ID9381942

  • Non-standard isotope - Non-standard isotope

More details:

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

Acide phényl(2H)propanedioïque [French] [ACD/IUPAC Name]
Phenyl(2H)propandisäure [German] [ACD/IUPAC Name]
Phenyl(2H)propanedioic acid [ACD/IUPAC Name]
Propanedioic-2-d acid, 2-phenyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 363.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 187.5±21.1 °C
Index of Refraction: 1.592
Molar Refractivity: 43.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -1.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 128.8±3.0 cm3

Click to predict properties on the Chemicalize site


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