ChemSpider 2D Image | 4-[(~2~H_2_)Methyloxy](O-~2~H_5_)benzoic acid | C8HD7O3

4-[(2H2)Methyloxy](O-2H5)benzoic acid

  • Molecular FormulaC8HD7O3
  • Average mass159.191 Da
  • Monoisotopic mass159.091278 Da
  • ChemSpider ID122692156

  • Non-standard isotope - Non-standard isotope

More details:

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

4-[(2H2)Methyloxy](O-2H5)benzoesäure [German] [ACD/IUPAC Name]
4-[(2H2)Methyloxy](O-2H5)benzoic acid [ACD/IUPAC Name]
Acide 4-[(2H2)méthyloxy](O-2H5)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,3,5,6-d4 acid-d, 4-(methyl-d2-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: 278.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 115.5±13.3 °C
Index of Refraction: 1.546
Molar Refractivity: 39.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 21.78
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 126.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement