ChemSpider 2D Image | 5,5'-[1,4-Butanediylbis(oxy)]bis[2-(2,3-dimethylphenyl)-1H-isoindole-1,3(2H)-dione] | C36H32N2O6

5,5'-[1,4-Butanediylbis(oxy)]bis[2-(2,3-dimethylphenyl)-1H-isoindole-1,3(2H)-dione]

  • Molecular FormulaC36H32N2O6
  • Average mass588.649 Da
  • Monoisotopic mass588.226013 Da
  • ChemSpider ID2362655

More details:

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

1H-Isoindole-1,3(2H)-dione, 5,5'-[1,4-butanediylbis(oxy)]bis[2-(2,3-dimethylphenyl)- [ACD/Index Name]
5,5'-[1,4-Butandiylbis(oxy)]bis[2-(2,3-dimethylphenyl)-1H-isoindol-1,3(2H)-dion] [German] [ACD/IUPAC Name]
5,5'-[1,4-Butanediylbis(oxy)]bis[2-(2,3-dimethylphenyl)-1H-isoindole-1,3(2H)-dione] [ACD/IUPAC Name]
5,5'-[1,4-Butanediylbis(oxy)]bis[2-(2,3-diméthylphényl)-1H-isoindole-1,3(2H)-dione] [French] [ACD/IUPAC Name]
5,5'-[Butane-1,4-diylbis(oxy)]bis[2-(2,3-dimethylphenyl)-1H-isoindole-1,3(2H)-dione]
5022-04-8 [RN]

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

BAS 00465124 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 796.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 435.3±35.7 °C
Index of Refraction: 1.648
Molar Refractivity: 164.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 31748.23
ACD/KOC (pH 5.5): 58065.09
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 31748.23
ACD/KOC (pH 7.4): 58065.09
Polar Surface Area: 93 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 451.1±3.0 cm3

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