ChemSpider 2D Image | 2,2-Dimethylpropyl chloro(oxo)acetate | C7H11ClO3

2,2-Dimethylpropyl chloro(oxo)acetate

  • Molecular FormulaC7H11ClO3
  • Average mass178.613 Da
  • Monoisotopic mass178.039673 Da
  • ChemSpider ID13798044

More details:

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

2,2-Dimethylpropyl chloro(oxo)acetate [ACD/IUPAC Name]
2,2-Dimethylpropyl-chlor(oxo)acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-chloro-2-oxo-, 2,2-dimethylpropyl ester [ACD/Index Name]
Chloro(oxo)acétate de 2,2-diméthylpropyle [French] [ACD/IUPAC Name]
2,2-dimethylpropyl oxalochloridate
209848-82-8 [RN]
CS-0546
MFCD17214254
MONONEOPENTYL OXALYL CHLORIDE
neopentyl 2-chloro-2-oxoacetate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 190.9±9.0 °C at 760 mmHg
    Vapour Pressure: 0.5±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 42.7±3.0 kJ/mol
    Flash Point: 68.2±17.7 °C
    Index of Refraction: 1.439
    Molar Refractivity: 41.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.28
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 28.79
    ACD/KOC (pH 5.5): 385.57
    ACD/LogD (pH 7.4): 2.22
    ACD/BCF (pH 7.4): 28.79
    ACD/KOC (pH 7.4): 385.57
    Polar Surface Area: 43 Å2
    Polarizability: 16.3±0.5 10-24cm3
    Surface Tension: 32.9±3.0 dyne/cm
    Molar Volume: 156.1±3.0 cm3

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