ChemSpider 2D Image | NEOPENTYL GLYCOL ADIPATE | C11H18O4

NEOPENTYL GLYCOL ADIPATE

  • Molecular FormulaC11H18O4
  • Average mass214.258 Da
  • Monoisotopic mass214.120514 Da
  • ChemSpider ID21166812

More details:

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

1,5-Dioxacycloundecane-6,11-dione, 3,3-dimethyl- [ACD/Index Name]
27925-07-1 [RN]
3,3-Dimethyl-1,5-dioxacycloundecan-6,11-dion [German] [ACD/IUPAC Name]
3,3-Dimethyl-1,5-dioxacycloundecane-6,11-dione [ACD/IUPAC Name]
3,3-Diméthyl-1,5-dioxacycloundécane-6,11-dione [French] [ACD/IUPAC Name]
302-580-3 [EINECS]
94113-47-0 [RN]
NEOPENTYL GLYCOL ADIPATE
(3,3-dimethyl-1,5-dioxacycloundecane-6,11-dione)
1003-03-8 [RN]
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 400.7±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.2±3.0 kJ/mol
    Flash Point: 207.0±25.2 °C
    Index of Refraction: 1.434
    Molar Refractivity: 54.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.54
    ACD/LogD (pH 5.5): 1.60
    ACD/BCF (pH 5.5): 9.69
    ACD/KOC (pH 5.5): 176.93
    ACD/LogD (pH 7.4): 1.60
    ACD/BCF (pH 7.4): 9.69
    ACD/KOC (pH 7.4): 176.93
    Polar Surface Area: 53 Å2
    Polarizability: 21.5±0.5 10-24cm3
    Surface Tension: 30.0±3.0 dyne/cm
    Molar Volume: 208.6±3.0 cm3

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