ChemSpider 2D Image | 2,2-Bis(hydroxymethyl)-1,3-propanediyl bis[4-(2,2-dimethylpropanoyl)benzoate] | C29H36O8

2,2-Bis(hydroxymethyl)-1,3-propanediyl bis[4-(2,2-dimethylpropanoyl)benzoate]

  • Molecular FormulaC29H36O8
  • Average mass512.591 Da
  • Monoisotopic mass512.241028 Da
  • ChemSpider ID8967183

More details:

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

2,2-Bis(hydroxymethyl)-1,3-propandiyl-bis[4-(2,2-dimethylpropanoyl)benzoat] [German] [ACD/IUPAC Name]
2,2-Bis(hydroxymethyl)-1,3-propanediyl bis[4-(2,2-dimethylpropanoyl)benzoate] [ACD/IUPAC Name]
2,2-bis(hydroxymethyl)propane-1,3-diyl bis[4-(2,2-dimethylpropanoyl)benzoate]
Benzoic acid, 4-(2,2-dimethyl-1-oxopropyl)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester [ACD/Index Name]
Bis[4-(2,2-diméthylpropanoyl)benzoate] de 2,2-bis(hydroxyméthyl)-1,3-propanediyle [French] [ACD/IUPAC Name]
Benzoic acid,4-(2,2-dimethyl-1-oxopropyl)-2,2-bis-(hydroxymethyl)-1,3-propanediyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 213.0±25.0 °C
Index of Refraction: 1.554
Molar Refractivity: 138.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4369.23
ACD/KOC (pH 5.5): 14040.89
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4369.22
ACD/KOC (pH 7.4): 14040.88
Polar Surface Area: 127 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 432.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement