ChemSpider 2D Image | Methyl 3,4,5-triethoxy-2-nitrobenzoate | C14H19NO7

Methyl 3,4,5-triethoxy-2-nitrobenzoate

  • Molecular FormulaC14H19NO7
  • Average mass313.303 Da
  • Monoisotopic mass313.116150 Da
  • ChemSpider ID21801789

More details:

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

1142198-09-1 [RN]
3,4,5-Triéthoxy-2-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-triethoxy-2-nitro-, methyl ester [ACD/Index Name]
Methyl 3,4,5-triethoxy-2-nitrobenzoate [ACD/IUPAC Name]
Methyl-3,4,5-triethoxy-2-nitrobenzoat [German] [ACD/IUPAC Name]
methyl3,4,5-triethoxy-2-nitrobenzoate

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

MFCD12028476 [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: 451.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.1±3.0 kJ/mol
    Flash Point: 185.6±29.3 °C
    Index of Refraction: 1.514
    Molar Refractivity: 78.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): 2.59
    ACD/BCF (pH 5.5): 54.28
    ACD/KOC (pH 5.5): 607.15
    ACD/LogD (pH 7.4): 2.59
    ACD/BCF (pH 7.4): 54.28
    ACD/KOC (pH 7.4): 607.15
    Polar Surface Area: 100 Å2
    Polarizability: 31.1±0.5 10-24cm3
    Surface Tension: 40.3±3.0 dyne/cm
    Molar Volume: 260.7±3.0 cm3

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