ChemSpider 2D Image | (-)-4-methylheptanoic acid | C8H16O2

(-)-4-methylheptanoic acid

  • Molecular FormulaC8H16O2
  • Average mass144.211 Da
  • Monoisotopic mass144.115036 Da
  • ChemSpider ID34989526

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(-)-4-methylheptanoic acid
(4R)-4-Methylheptanoic acid [ACD/IUPAC Name]
(4R)-4-Methylheptansäure [German] [ACD/IUPAC Name]
115109-01-8 [RN]
Acide (4R)-4-méthylheptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 4-methyl-, (4R)- [ACD/Index Name]
(R)-4-methylheptanoic acid
3302-03-2 [RN]
4-Methylheptanoic acid [ACD/IUPAC Name]
4-METHYLHEPTANOIC ACID, (-)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DM88U2KD2A [DBID]
UNII:DM88U2KD2A [DBID]
UNII-DM88U2KD2A [DBID]

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 234.6±8.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 51.9±6.0 kJ/mol
    Flash Point: 116.6±6.9 °C
    Index of Refraction: 1.435
    Molar Refractivity: 40.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.72
    ACD/LogD (pH 5.5): 1.73
    ACD/BCF (pH 5.5): 7.84
    ACD/KOC (pH 5.5): 90.57
    ACD/LogD (pH 7.4): -0.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.46
    Polar Surface Area: 37 Å2
    Polarizability: 16.1±0.5 10-24cm3
    Surface Tension: 31.8±3.0 dyne/cm
    Molar Volume: 155.6±3.0 cm3

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