ChemSpider 2D Image | Dimethyl 2-isocyanatoterephthalate | C11H9NO5

Dimethyl 2-isocyanatoterephthalate

  • Molecular FormulaC11H9NO5
  • Average mass235.193 Da
  • Monoisotopic mass235.048065 Da
  • ChemSpider ID21800781

More details:

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

1,4-Benzenedicarboxylic acid, 2-isocyanato-, dimethyl ester [ACD/Index Name]
1,4-dimethyl 2-isocyanatobenzene-1,4-dicarboxylate
179114-94-4 [RN]
2-Isocyanatotéréphtalate de diméthyle [French] [ACD/IUPAC Name]
dimethyl 2-isocyanatobenzene-1,4-dicarboxylate
Dimethyl 2-isocyanatoterephthalate [ACD/IUPAC Name]
Dimethyl-2-isocyanatoterephthalat [German] [ACD/IUPAC Name]
dimethyl2-isocyanatoterephthalate
methyl 2-isocyanato-4-(methoxycarbonyl)benzoate

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

MFCD10699354 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 350.3±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.5±3.0 kJ/mol
    Flash Point: 164.1±19.6 °C
    Index of Refraction: 1.533
    Molar Refractivity: 58.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.70
    ACD/LogD (pH 5.5): 3.37
    ACD/BCF (pH 5.5): 213.22
    ACD/KOC (pH 5.5): 1616.50
    ACD/LogD (pH 7.4): 3.37
    ACD/BCF (pH 7.4): 213.22
    ACD/KOC (pH 7.4): 1616.50
    Polar Surface Area: 82 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 43.1±7.0 dyne/cm
    Molar Volume: 189.0±7.0 cm3

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