ChemSpider 2D Image | 4,4'-(1,3,6,8-Tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)dibenzoic acid | C28H14N2O8

4,4'-(1,3,6,8-Tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)dibenzoic acid

  • Molecular FormulaC28H14N2O8
  • Average mass506.419 Da
  • Monoisotopic mass506.075012 Da
  • ChemSpider ID935439

More details:

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

4,4'-(1,3,6,8-Tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2,7-diyl)dibenzoesäure [German] [ACD/IUPAC Name]
4,4'-(1,3,6,8-Tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)dibenzoic acid [ACD/IUPAC Name]
Acide 4,4'-(1,3,6,8-tétraoxo-1,3,6,8-tétrahydrobenzo[lmn][3,8]phénanthroline-2,7-diyl)dibenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4,4'-(1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline-2,7-diyl)bis- [ACD/Index Name]
4,4'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn]-3,8-phenanthroline-2,7-diyl)dibenzoic acid
49546-06-7 [RN]

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

BAS 00332572 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 915.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.5±3.0 kJ/mol
Flash Point: 507.5±34.3 °C
Index of Refraction: 1.800
Molar Refractivity: 129.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.78
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 94.8±3.0 dyne/cm
Molar Volume: 303.3±3.0 cm3

Click to predict properties on the Chemicalize site


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