ChemSpider 2D Image | Methylenedi-4,1-phenylene bis(3,4,5-trihydroxybenzoate) | C27H20O10

Methylenedi-4,1-phenylene bis(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC27H20O10
  • Average mass504.442 Da
  • Monoisotopic mass504.105652 Da
  • ChemSpider ID127410320

More details:

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

Benzoic acid, 3,4,5-trihydroxy-, methylenedi-4,1-phenylene ester [ACD/Index Name]
Bis(3,4,5-trihydroxybenzoate) de méthylènedi-4,1-phénylène [French] [ACD/IUPAC Name]
Methylendi-4,1-phenylen-bis(3,4,5-trihydroxybenzoat) [German] [ACD/IUPAC Name]
Methylenedi-4,1-phenylene bis(3,4,5-trihydroxybenzoate) [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 882.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.7±3.0 kJ/mol
Flash Point: 301.4±27.8 °C
Index of Refraction: 1.729
Molar Refractivity: 130.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1333.59
ACD/KOC (pH 5.5): 5977.29
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 502.93
ACD/KOC (pH 7.4): 2254.19
Polar Surface Area: 174 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 82.5±3.0 dyne/cm
Molar Volume: 326.2±3.0 cm3

Click to predict properties on the Chemicalize site


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