ChemSpider 2D Image | 6-(1-Carboxyethoxy)-1,3-benzodioxole-5-carboxylic acid | C11H10O7

6-(1-Carboxyethoxy)-1,3-benzodioxole-5-carboxylic acid

  • Molecular FormulaC11H10O7
  • Average mass254.193 Da
  • Monoisotopic mass254.042648 Da
  • ChemSpider ID38803929

More details:

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

1,3-Benzodioxole-5-carboxylic acid, 6-(1-carboxyethoxy)- [ACD/Index Name]
6-(1-Carboxyethoxy)-1,3-benzodioxol-5-carbonsäure [German] [ACD/IUPAC Name]
6-(1-Carboxyethoxy)-1,3-benzodioxole-5-carboxylic acid [ACD/IUPAC Name]
Acide 6-(1-carboxyéthoxy)-1,3-benzodioxole-5-carboxylique [French] [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: 454.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 180.8±22.2 °C
Index of Refraction: 1.604
Molar Refractivity: 56.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 71.5±3.0 dyne/cm
Molar Volume: 165.2±3.0 cm3

Click to predict properties on the Chemicalize site


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