ChemSpider 2D Image | 3,4-Bis[(~2~H_3_)methyloxy]benzoic acid | C9H4D6O4

3,4-Bis[(2H3)methyloxy]benzoic acid

  • Molecular FormulaC9H4D6O4
  • Average mass188.210 Da
  • Monoisotopic mass188.095566 Da
  • ChemSpider ID62848525

  • Non-standard isotope - Non-standard isotope

More details:

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

3,4-Bis[(2H3)methyloxy]benzoesäure [German] [ACD/IUPAC Name]
3,4-Bis[(2H3)methyloxy]benzoic acid [ACD/IUPAC Name]
Acide 3,4-bis[(2H3)méthyloxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,4-bis(methyl-d3-oxy)- [ACD/Index Name]
1162658-12-9 [RN]
3,4-di(²H?)methoxybenzoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 302.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.4±3.0 kJ/mol
Flash Point: 120.9±15.8 °C
Index of Refraction: 1.533
Molar Refractivity: 46.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 16.34
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 56 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 150.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement