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Search term: RESTWAHJFMZUIZ-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | MFCD00007385 | C8H9NO2

MFCD00007385

  • Molecular FormulaC8H9NO2
  • Average mass151.163 Da
  • Monoisotopic mass151.063324 Da
  • ChemSpider ID21159433

More details:






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

100-12-9 [RN]
1-Ethyl-4-nitrobenzene [ACD/IUPAC Name]
1-Éthyl-4-nitrobenzène [French] [ACD/IUPAC Name]
1-Ethyl-4-nitrobenzol [German] [ACD/IUPAC Name]
4-ETHYLNITROBENZENE
Benzene, 1-ethyl-4-nitro- [ACD/Index Name]
MFCD00007385
[100-12-9] [RN]
202-821-1 [EINECS]
4-ethyl nitrobenzene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Experimental Physico-chemical Properties
  • Gas Chromatography
    • Retention Index (Kovats):

      1289 (estimated with error: 83) NIST Spectra mainlib_230237, replib_163403
      1393 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; Start T: 200 C; CAS no: 100129; Active phase: Apiezon L; Carrier gas: He; Substrate: Silanized white support; Data type: Kovats RI; Authors: Vernon, F.; Suratman, J.B., The retention index system applied to alkylbenzenes and monosubstituted derivatives, Chromatographia, 17(11), 1983, 600-604.) NIST Spectra nist ri
      2057 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column length: 2 m; Column type: Packed; Start T: 200 C; CAS no: 100129; Active phase: Carbowax 20M; Carrier gas: He; Substrate: Silanized white support; Data type: Kovats RI; Authors: Vernon, F.; Suratman, J.B., The retention index system applied to alkylbenzenes and monosubstituted derivatives, Chromatographia, 17(11), 1983, 600-604.) NIST Spectra nist ri

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

Density: 1.1±0.1 g/cm3
Boiling Point: 246.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.4±3.0 kJ/mol
Flash Point: 107.7±11.5 °C
Index of Refraction: 1.544
Molar Refractivity: 42.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.24
ACD/KOC (pH 5.5): 803.09
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.24
ACD/KOC (pH 7.4): 803.09
Polar Surface Area: 46 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 134.1±3.0 cm3

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