ChemSpider 2D Image | 4-Acetyl-4-propylheptanedioic acid | C12H20O5

4-Acetyl-4-propylheptanedioic acid

  • Molecular FormulaC12H20O5
  • Average mass244.284 Da
  • Monoisotopic mass244.131073 Da
  • ChemSpider ID30437825

More details:

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

4-Acetyl-4-propylheptandisäure [German] [ACD/IUPAC Name]
4-Acetyl-4-propylheptanedioic acid [ACD/IUPAC Name]
Acide 4-acétyl-4-propylheptanedioïque [French] [ACD/IUPAC Name]
Heptanedioic acid, 4-acetyl-4-propyl- [ACD/Index Name]
76921-69-2 [RN]
AE-534/30057049
AGN-PC-0NJSGG
MCULE-3436491291
MolPort-009-015-180

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

AE-848/08809049 [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: 454.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 78.3±6.0 kJ/mol
    Flash Point: 243.0±21.1 °C
    Index of Refraction: 1.482
    Molar Refractivity: 60.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.12
    ACD/LogD (pH 5.5): -0.75
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.14
    ACD/LogD (pH 7.4): -3.45
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 45.5±3.0 dyne/cm
    Molar Volume: 213.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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