ChemSpider 2D Image | Methyl 3-chlorocyclobutanecarboxylate | C6H9ClO2

Methyl 3-chlorocyclobutanecarboxylate

  • Molecular FormulaC6H9ClO2
  • Average mass148.587 Da
  • Monoisotopic mass148.029114 Da
  • ChemSpider ID24597391

More details:

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

15963-46-9 [RN]
3-Chlorocyclobutanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 3-chloro-, methyl ester [ACD/Index Name]
Methyl 3-chlorocyclobutane-1-carboxylate
Methyl 3-chlorocyclobutanecarboxylate [ACD/IUPAC Name]
Methyl-3-chlorcyclobutancarboxylat [German] [ACD/IUPAC Name]
(3-Chlorocyclobutyl)methanol [ACD/IUPAC Name]
[15963-46-9] [RN]
15963-47-0 [RN]
3-Chlorocyclobutanecarboxylic acid methyl ester
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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: 1.2±0.1 g/cm3
    Boiling Point: 185.4±33.0 °C at 760 mmHg
    Vapour Pressure: 0.7±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 42.2±3.0 kJ/mol
    Flash Point: 77.1±20.8 °C
    Index of Refraction: 1.461
    Molar Refractivity: 34.4±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.02
    ACD/LogD (pH 5.5): 1.49
    ACD/BCF (pH 5.5): 7.95
    ACD/KOC (pH 5.5): 153.55
    ACD/LogD (pH 7.4): 1.49
    ACD/BCF (pH 7.4): 7.95
    ACD/KOC (pH 7.4): 153.55
    Polar Surface Area: 26 Å2
    Polarizability: 13.6±0.5 10-24cm3
    Surface Tension: 33.1±5.0 dyne/cm
    Molar Volume: 125.5±5.0 cm3

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