ChemSpider 2D Image | (~2~H_3_)Methyl 3-fluorobenzoate | C8H4D3FO2

(2H3)Methyl 3-fluorobenzoate

  • Molecular FormulaC8H4D3FO2
  • Average mass157.157 Da
  • Monoisotopic mass157.061844 Da
  • ChemSpider ID111329969

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl 3-fluorobenzoate [ACD/IUPAC Name]
(2H3)Methyl-3-fluorbenzoat [German] [ACD/IUPAC Name]
3-Fluorobenzoate de (2H3)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-fluoro-, methyl-d3 ester [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: 197.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.4±3.0 kJ/mol
Flash Point: 71.6±17.5 °C
Index of Refraction: 1.490
Molar Refractivity: 38.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.55
ACD/KOC (pH 5.5): 323.77
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.55
ACD/KOC (pH 7.4): 323.77
Polar Surface Area: 26 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 131.5±3.0 cm3

Click to predict properties on the Chemicalize site


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