ChemSpider 2D Image | Dimethyl (3,4-difluorobenzyl)malonate | C12H12F2O4

Dimethyl (3,4-difluorobenzyl)malonate

  • Molecular FormulaC12H12F2O4
  • Average mass258.218 Da
  • Monoisotopic mass258.070374 Da
  • ChemSpider ID21242284

More details:

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

(3,4-Difluorobenzyl)malonate de diméthyle [French] [ACD/IUPAC Name]
(3,4-Difluorobenzyl)malonic acid dimethyl ester
Dimethyl (3,4-difluorobenzyl)malonate [ACD/IUPAC Name]
Dimethyl 2-(3,4-difluorobenzyl)malonate
Dimethyl-(3,4-difluorbenzyl)malonat [German] [ACD/IUPAC Name]
FR BF D1YVO1&VO1 [WLN]
Propanedioic acid, 2-[(3,4-difluorophenyl)methyl]-, dimethyl ester [ACD/Index Name]
1020253-69-3 [RN]
MFCD07780242 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 298.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.8±3.0 kJ/mol
Flash Point: 129.9±20.8 °C
Index of Refraction: 1.479
Molar Refractivity: 57.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.54
ACD/KOC (pH 5.5): 333.84
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.54
ACD/KOC (pH 7.4): 333.83
Polar Surface Area: 53 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 204.0±3.0 cm3

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