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Search term: MF = 'C_{9}H_{9}IO_{2}'
ChemSpider 2D Image | Methyl 5-iodo-2-methylbenzoate | C9H9IO2

Methyl 5-iodo-2-methylbenzoate

  • Molecular FormulaC9H9IO2
  • Average mass276.071 Da
  • Monoisotopic mass275.964722 Da
  • ChemSpider ID21429360

More details:

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

103440-54-6 [RN]
5-Iodo-2-méthylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-iodo-2-methyl-, methyl ester [ACD/Index Name]
Methyl 5-iodo-2-methylbenzoate [ACD/IUPAC Name]
Methyl-5-iod-2-methylbenzoat [German] [ACD/IUPAC Name]
[103440-54-6] [RN]
5-iodo-2-methylbenzoic acid methyl ester
95%
BENZOIC ACID,5-IODO-2-METHYL-,METHYL ESTER
DS-6661
More...

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 290.4±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.0±3.0 kJ/mol
    Flash Point: 129.4±24.0 °C
    Index of Refraction: 1.588
    Molar Refractivity: 55.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.77
    ACD/LogD (pH 5.5): 3.43
    ACD/BCF (pH 5.5): 237.76
    ACD/KOC (pH 5.5): 1747.63
    ACD/LogD (pH 7.4): 3.43
    ACD/BCF (pH 7.4): 237.76
    ACD/KOC (pH 7.4): 1747.63
    Polar Surface Area: 26 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 43.5±3.0 dyne/cm
    Molar Volume: 165.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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