ChemSpider 2D Image | 4-(3,4-Dicarboxycyclohexyl)phthalic acid | C16H16O8

4-(3,4-Dicarboxycyclohexyl)phthalic acid

  • Molecular FormulaC16H16O8
  • Average mass336.293 Da
  • Monoisotopic mass336.084503 Da
  • ChemSpider ID28685619

More details:

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

1,2-Benzenedicarboxylic acid, 4-(3,4-dicarboxycyclohexyl)- [ACD/Index Name]
4-(3,4-Dicarboxycyclohexyl)phthalic acid [ACD/IUPAC Name]
4-(3,4-Dicarboxycyclohexyl)phthalsäure [German] [ACD/IUPAC Name]
Acide 4-(3,4-dicarboxycyclohexyl)phtalique [French] [ACD/IUPAC Name]
141573-91-3 [RN]
4-(3,4-Dicarboxycyclohexyl)benzene-1,2-dicarboxylic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 659.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 366.5±28.0 °C
Index of Refraction: 1.628
Molar Refractivity: 78.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 77.8±3.0 dyne/cm
Molar Volume: 220.2±3.0 cm3

Click to predict properties on the Chemicalize site


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