ChemSpider 2D Image | Ethyl 2-iodo-5-methylbenzoate | C10H11IO2

Ethyl 2-iodo-5-methylbenzoate

  • Molecular FormulaC10H11IO2
  • Average mass290.098 Da
  • Monoisotopic mass289.980377 Da
  • ChemSpider ID21473152

More details:

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

2-Iodo-5-méthylbenzoate d'éthyle [French] [ACD/IUPAC Name]
933585-44-5 [RN]
Benzoic acid, 2-iodo-5-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-iodo-5-methylbenzoate [ACD/IUPAC Name]
Ethyl-2-iod-5-methylbenzoat [German] [ACD/IUPAC Name]
2-iodo-5-methyl-benzoic acid ethyl ester
BENZOIC ACID 2-IODO-5-METHYL- ETHYL ESTER
DS-10019
Ethyl2-iodo-5-methylbenzoate
MFCD09998719 [MDL number]

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: 1.6±0.1 g/cm3
    Boiling Point: 297.2±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.7±3.0 kJ/mol
    Flash Point: 133.5±21.8 °C
    Index of Refraction: 1.577
    Molar Refractivity: 60.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.73
    ACD/LogD (pH 5.5): 3.68
    ACD/BCF (pH 5.5): 367.03
    ACD/KOC (pH 5.5): 2384.61
    ACD/LogD (pH 7.4): 3.68
    ACD/BCF (pH 7.4): 367.03
    ACD/KOC (pH 7.4): 2384.61
    Polar Surface Area: 26 Å2
    Polarizability: 23.9±0.5 10-24cm3
    Surface Tension: 42.5±3.0 dyne/cm
    Molar Volume: 182.2±3.0 cm3

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