ChemSpider 2D Image | Dioctyl 4,4',5,5',6,6'-hexahydroxy-2,2'-biphenyldicarboxylate | C30H42O10

Dioctyl 4,4',5,5',6,6'-hexahydroxy-2,2'-biphenyldicarboxylate

  • Molecular FormulaC30H42O10
  • Average mass562.648 Da
  • Monoisotopic mass562.277771 Da
  • ChemSpider ID8160916

More details:

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

[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 4,4',5,5',6,6'-hexahydroxy-, dioctyl ester [ACD/Index Name]
4,4',5,5',6,6'-Hexahydroxy-2,2'-biphényldicarboxylate de dioctyle [French] [ACD/IUPAC Name]
Dioctyl 4,4',5,5',6,6'-hexahydroxy-2,2'-biphenyldicarboxylate [ACD/IUPAC Name]
Dioctyl-4,4',5,5',6,6'-hexahydroxy-2,2'-biphenyldicarboxylat [German] [ACD/IUPAC Name]
CHEMBL517784
dioctyl 4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-dicarboxylate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517784/
n-dioctyl 2,2',3,3',4,4'-hexahydroxybiphenyl-6,6'-dicarboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 789.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 252.3±26.4 °C
Index of Refraction: 1.580
Molar Refractivity: 150.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 8.75
ACD/LogD (pH 5.5): 8.03
ACD/BCF (pH 5.5): 740117.81
ACD/KOC (pH 5.5): 546019.75
ACD/LogD (pH 7.4): 7.21
ACD/BCF (pH 7.4): 112142.78
ACD/KOC (pH 7.4): 82733.01
Polar Surface Area: 174 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 452.2±3.0 cm3

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