ChemSpider 2D Image | 2-[(~2~H_3_)Ethanoyloxy]-4-(trifluoromethyl)benzoic acid | C10H4D3F3O4

2-[(2H3)Ethanoyloxy]-4-(trifluoromethyl)benzoic acid

  • Molecular FormulaC10H4D3F3O4
  • Average mass251.174 Da
  • Monoisotopic mass251.048477 Da
  • ChemSpider ID110404733

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[(2H3)Ethanoyloxy]-4-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
2-[(2H3)Ethanoyloxy]-4-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
Acide 2-[(2H3)éthanoyloxy]-4-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(1-oxoethyl-2,2,2-d3)oxy]-4-(trifluoromethyl)- [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: 316.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 144.9±27.9 °C
Index of Refraction: 1.484
Molar Refractivity: 49.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.98
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 173.1±3.0 cm3

Click to predict properties on the Chemicalize site


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