ChemSpider 2D Image | Dimethyl 2-[({[2-(trifluoromethyl)benzoyl]oxy}acetyl)amino]terephthalate | C20H16F3NO7

Dimethyl 2-[({[2-(trifluoromethyl)benzoyl]oxy}acetyl)amino]terephthalate

  • Molecular FormulaC20H16F3NO7
  • Average mass439.339 Da
  • Monoisotopic mass439.087891 Da
  • ChemSpider ID127222872

More details:

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

1,4-Benzenedicarboxylic acid, 2-[[2-[[2-(trifluoromethyl)benzoyl]oxy]acetyl]amino]-, dimethyl ester [ACD/Index Name]
2-[(2-{[2-(Trifluorométhyl)benzoyl]oxy}acétyl)amino]téréphtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 2-[({[2-(trifluoromethyl)benzoyl]oxy}acetyl)amino]terephthalate [ACD/IUPAC Name]
Dimethyl-2-[({[2-(trifluormethyl)benzoyl]oxy}acetyl)amino]terephthalat [German] [ACD/IUPAC 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: 615.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.7±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 100.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1077.39
ACD/KOC (pH 5.5): 5154.33
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1077.30
ACD/KOC (pH 7.4): 5153.88
Polar Surface Area: 108 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 314.1±3.0 cm3

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