ChemSpider 2D Image | 3,4,5-Tris[(methoxycarbonyl)oxy]benzoic acid | C13H12O11

3,4,5-Tris[(methoxycarbonyl)oxy]benzoic acid

  • Molecular FormulaC13H12O11
  • Average mass344.228 Da
  • Monoisotopic mass344.037964 Da
  • ChemSpider ID28553909

More details:

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

3,4,5-Tris[(methoxycarbonyl)oxy]benzoesäure [German] [ACD/IUPAC Name]
3,4,5-Tris[(methoxycarbonyl)oxy]benzoic acid [ACD/IUPAC Name]
Acide 3,4,5-tris[(méthoxycarbonyl)oxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-tris[(methoxycarbonyl)oxy]- [ACD/Index Name]
222320-76-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 528.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 197.3±23.6 °C
Index of Refraction: 1.532
Molar Refractivity: 72.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 233.9±3.0 cm3

Click to predict properties on the Chemicalize site


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