ChemSpider 2D Image | ditert-butyl 4-oxocyclohexane-1,1-dicarboxylate | C16H26O5

ditert-butyl 4-oxocyclohexane-1,1-dicarboxylate

  • Molecular FormulaC16H26O5
  • Average mass298.375 Da
  • Monoisotopic mass298.178009 Da
  • ChemSpider ID21127972

More details:

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

4-Oxo-1,1-cyclohexanedicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-4-oxo-1,1-cyclohexandicarboxylat [German] [ACD/IUPAC Name]
1,1-CYCLOHEXANEDICARBOXYLIC ACID, 4-OXO-, 1,1-BIS(1,1-DIMETHYLETHYL)ESTER
4-oxo-1,1-Cyclohexanedicarboxylic acid 1,1-bis(1,1-dimethylethyl) ester
4-Oxocyclohexane-1,1-dicarboxylic acid di-tert-butyl ester
925704-44-5 [RN]
Di-tert-Butyl 4-oxocyclohexane-1,1-dicarboxylate

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

CCRIS 4693 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 352.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 149.4±27.9 °C
Index of Refraction: 1.473
Molar Refractivity: 77.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 96.85
ACD/KOC (pH 5.5): 918.86
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 96.85
ACD/KOC (pH 7.4): 918.86
Polar Surface Area: 70 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 275.7±3.0 cm3

Click to predict properties on the Chemicalize site


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