ChemSpider 2D Image | 3-[(~2~H_5_)Phenyloxy](~2~H_4_)benzoic acid | C13HD9O3

3-[(2H5)Phenyloxy](2H4)benzoic acid

  • Molecular FormulaC13HD9O3
  • Average mass223.272 Da
  • Monoisotopic mass223.119492 Da
  • ChemSpider ID107439806

  • Non-standard isotope - Non-standard isotope

More details:

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

3-[(2H5)Phenyloxy](2H4)benzoesäure [German] [ACD/IUPAC Name]
3-[(2H5)Phenyloxy](2H4)benzoic acid [ACD/IUPAC Name]
Acide 3-[(2H5)phényloxy](2H4)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,3,4,6-d4 acid, 5-(phenyl-d5-oxy)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 372.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 145.7±16.7 °C
Index of Refraction: 1.608
Molar Refractivity: 59.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 14.95
ACD/KOC (pH 5.5): 87.52
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.30
Polar Surface Area: 47 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 172.6±3.0 cm3

Click to predict properties on the Chemicalize site


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