ChemSpider 2D Image | Methyl 5-nitro-1-naphthoate | C12H9NO4

Methyl 5-nitro-1-naphthoate

  • Molecular FormulaC12H9NO4
  • Average mass231.204 Da
  • Monoisotopic mass231.053162 Da
  • ChemSpider ID24795783

More details:

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

1-Naphthalenecarboxylic acid, 5-nitro-, methyl ester [ACD/Index Name]
59866-98-7 [RN]
5-Nitro-1-naphtoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-nitro-1-naphthoate [ACD/IUPAC Name]
Methyl-5-nitro-1-naphthoat [German] [ACD/IUPAC Name]
5-nitro-1-Naphthalene carboxylic acid Methyl ester
5-Nitro-1-naphthalenecarboxylic acid methyl ester
5-nitronaphthalene-1-carboxylic acid methyl ester
5-Nitro-naphthalene-1-carboxylic acid methyl ester
5-NITRO-NAPHTHALENE-1-CARBOXYLICACIDMETHYLESTER
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 379.3±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.7±3.0 kJ/mol
    Flash Point: 176.5±22.9 °C
    Index of Refraction: 1.640
    Molar Refractivity: 62.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.16
    ACD/LogD (pH 5.5): 3.04
    ACD/BCF (pH 5.5): 120.25
    ACD/KOC (pH 5.5): 1072.82
    ACD/LogD (pH 7.4): 3.04
    ACD/BCF (pH 7.4): 120.25
    ACD/KOC (pH 7.4): 1072.82
    Polar Surface Area: 72 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 54.8±3.0 dyne/cm
    Molar Volume: 173.3±3.0 cm3

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