ChemSpider 2D Image | 1-Benzyl 2-methyl 1-(2-methyl-2-propanyl) 1,1,2-ethanetricarboxylate | C17H22O6

1-Benzyl 2-methyl 1-(2-methyl-2-propanyl) 1,1,2-ethanetricarboxylate

  • Molecular FormulaC17H22O6
  • Average mass322.353 Da
  • Monoisotopic mass322.141632 Da
  • ChemSpider ID29340129

More details:

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

1,1,2-Éthanetricarboxylate de 1-benzyle et de 2-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,1,2-Ethanetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl 1-(phenylmethyl) ester [ACD/Index Name]
1-Benzyl 2-methyl 1-(2-methyl-2-propanyl) 1,1,2-ethanetricarboxylate [ACD/IUPAC Name]
1-Benzyl-2-methyl-1-(2-methyl-2-propanyl)-1,1,2-ethantricarboxylat [German] [ACD/IUPAC Name]
1050238-07-7 [RN]
1-benzyl 4-methyl 2-(tert-butoxycarbonyl)succinate
1-benzyl-4-methyl-2-(tert-butoxycarbonyl)succinate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 400.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 173.0±24.6 °C
Index of Refraction: 1.499
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.44
ACD/KOC (pH 5.5): 1265.38
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.43
ACD/KOC (pH 7.4): 1265.30
Polar Surface Area: 79 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 281.7±3.0 cm3

Click to predict properties on the Chemicalize site


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