ChemSpider 2D Image | 2,2'-{1,7-Heptanediylbis[oxy(3,5-dichloro-4,1-phenylene)imino]}dibenzoic acid | C33H30Cl4N2O6

2,2'-{1,7-Heptanediylbis[oxy(3,5-dichloro-4,1-phenylene)imino]}dibenzoic acid

  • Molecular FormulaC33H30Cl4N2O6
  • Average mass692.413 Da
  • Monoisotopic mass690.085815 Da
  • ChemSpider ID25058692

More details:

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

2,2'-{1,7-Heptandiylbis[oxy(3,5-dichlor-4,1-phenylen)imino]}dibenzoesäure [German] [ACD/IUPAC Name]
2,2'-{1,7-Heptanediylbis[oxy(3,5-dichloro-4,1-phenylene)imino]}dibenzoic acid [ACD/IUPAC Name]
2,2'-{heptane-1,7-Diylbis[oxy(3,5-Dichlorobenzene-4,1-Diyl)imino]}dibenzoic Acid
Acide 2,2'-{1,7-heptanediylbis[oxy(3,5-dichloro-4,1-phénylène)imino]}dibenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,2'-[1,7-heptanediylbis[oxy(3,5-dichloro-4,1-phenylene)imino]]bis- [ACD/Index Name]
JZE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 801.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 438.6±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 179.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 14.02
ACD/LogD (pH 5.5): 8.66
ACD/BCF (pH 5.5): 310846.56
ACD/KOC (pH 5.5): 28475.39
ACD/LogD (pH 7.4): 8.10
ACD/BCF (pH 7.4): 84768.14
ACD/KOC (pH 7.4): 7765.27
Polar Surface Area: 117 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 485.8±3.0 cm3

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