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Search term: MF = 'C_{8}H_{15}ClO_{2}'
ChemSpider 2D Image | Methyl 2-chloro-4,4-dimethylpentanoate | C8H15ClO2

Methyl 2-chloro-4,4-dimethylpentanoate

  • Molecular FormulaC8H15ClO2
  • Average mass178.656 Da
  • Monoisotopic mass178.076050 Da
  • ChemSpider ID27253507

More details:

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

1342278-04-9 [RN]
2-Chloro-4,4-diméthylpentanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-chloro-4,4-dimethylpentanoate [ACD/IUPAC Name]
Methyl-2-chlor-4,4-dimethylpentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 2-chloro-4,4-dimethyl-, methyl ester [ACD/Index Name]
2-Chloro-4,4-dimethyl-pentanoic acid methyl ester
95%
MFCD17254567

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 177.2±8.0 °C at 760 mmHg
    Vapour Pressure: 1.1±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 41.3±3.0 kJ/mol
    Flash Point: 54.8±9.1 °C
    Index of Refraction: 1.432
    Molar Refractivity: 45.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.52
    ACD/LogD (pH 5.5): 2.69
    ACD/BCF (pH 5.5): 65.12
    ACD/KOC (pH 5.5): 691.64
    ACD/LogD (pH 7.4): 2.69
    ACD/BCF (pH 7.4): 65.12
    ACD/KOC (pH 7.4): 691.64
    Polar Surface Area: 26 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 28.4±3.0 dyne/cm
    Molar Volume: 175.9±3.0 cm3

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