ChemSpider 2D Image | Diheptyl 4,4'-(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoate | C38H40N2O8

Diheptyl 4,4'-(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoate

  • Molecular FormulaC38H40N2O8
  • Average mass652.733 Da
  • Monoisotopic mass652.278442 Da
  • ChemSpider ID2355973

More details:

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

4,4'-(1,3,5,7-Tétraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoate de diheptyle [French] [ACD/IUPAC Name]
Benzoic acid, 4,4'-(5,7-dihydro-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)bis-, diheptyl ester [ACD/Index Name]
Diheptyl 4,4'-(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoate [ACD/IUPAC Name]
Diheptyl-4,4'-(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindol-2,6(1H,3H)-diyl)dibenzoat [German] [ACD/IUPAC Name]
benzoic acid, 4,4'-(5,7-dihydro-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindole-2,6-diyl)bis-, diheptyl ester
diheptyl 4,4'-(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6-diyl)dibenzoate

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

BAS 00340980 [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: 794.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 434.3±35.7 °C
Index of Refraction: 1.599
Molar Refractivity: 177.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 8.91
ACD/LogD (pH 5.5): 8.71
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1308815.75
ACD/LogD (pH 7.4): 8.71
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1308815.75
Polar Surface Area: 127 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 518.0±3.0 cm3

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