ChemSpider 2D Image | Dimethyl 6,6'-{[5-(dioctylcarbamoyl)-2-fluoro-1,3-phenylene]dicarbamoyl}di(2-pyridinecarboxylate) | C39H50FN5O7

Dimethyl 6,6'-{[5-(dioctylcarbamoyl)-2-fluoro-1,3-phenylene]dicarbamoyl}di(2-pyridinecarboxylate)

  • Molecular FormulaC39H50FN5O7
  • Average mass719.842 Da
  • Monoisotopic mass719.369446 Da
  • ChemSpider ID30658644

More details:

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

2-Pyridinecarboxylic acid, 6,6'-[[5-[(dioctylamino)carbonyl]-2-fluoro-1,3-phenylene]bis(iminocarbonyl)]bis-, dimethyl ester [ACD/Index Name]
6,6'-{[5-(Dioctylcarbamoyl)-2-fluoro-1,3-phénylène]dicarbamoyl}di(2-pyridinecarboxylate) de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 6,6'-{[5-(dioctylcarbamoyl)-2-fluoro-1,3-phenylene]dicarbamoyl}di(2-pyridinecarboxylate) [ACD/IUPAC Name]
Dimethyl-6,6'-{[5-(dioctylcarbamoyl)-2-fluor-1,3-phenylen]dicarbamoyl}di(2-pyridincarboxylat) [German] [ACD/IUPAC 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: 749.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.1±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 198.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 7.74
ACD/BCF (pH 5.5): 450576.50
ACD/KOC (pH 5.5): 387623.75
ACD/LogD (pH 7.4): 7.71
ACD/BCF (pH 7.4): 416275.13
ACD/KOC (pH 7.4): 358114.84
Polar Surface Area: 157 Å2
Polarizability: 78.6±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 600.0±3.0 cm3

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