ChemSpider 2D Image | 2-({3-[(2-Carboxybenzoyl)oxy]-2,2-dimethylpropoxy}carbonyl)benzoate | C21H19O8

2-({3-[(2-Carboxybenzoyl)oxy]-2,2-dimethylpropoxy}carbonyl)benzoate

  • Molecular FormulaC21H19O8
  • Average mass399.371 Da
  • Monoisotopic mass399.108551 Da
  • ChemSpider ID21229964

  • Charge - Charge

More details:

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

1,2-Benzenedicarboxylic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester, ion(0-) [ACD/Index Name]
1,2-benzenedicarboxylic acid, 2,2'-(2,2-dimethyl-1,3-propanediyl) ester, ion(0-)
2-({3-[(2-Carboxybenzoyl)oxy]-2,2-dimethylpropoxy}carbonyl)benzoat [German] [ACD/IUPAC Name]
2-({3-[(2-Carboxybenzoyl)oxy]-2,2-dimethylpropoxy}carbonyl)benzoate [ACD/IUPAC Name]
2-({3-[(2-Carboxybenzoyl)oxy]-2,2-diméthylpropoxy}carbonyl)benzoate [French] [ACD/IUPAC Name]
252-603-5 [EINECS]
2,2-dimethylpropane-1,3-diyl phthalate
35512-59-5 [RN]

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

Density:
Boiling Point: 626.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 220.1±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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