Ethyl 4-chlorobenzoate C9H9ClO2 structure

Flashcard maker : Kenneth Miller

C9H9ClO2 structure
Molecular Formula C9H9ClO2
Average mass 184.620 Da
Density 1.2±0.1 g/cm3
Boiling Point 238.1±13.0 °C at 760 mmHg
Flash Point 107.2±15.3 °C
Molar Refractivity 47.6±0.3 cm3
Polarizability 18.9±0.5 10-24cm3
Surface Tension 38.4±3.0 dyne/cm
Molar Volume 155.8±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Boiling Point:

      237-239 °C Alfa Aesar
      237-239 °C Alfa Aesar A12540
      237-239 °C LabNetwork LN00009894
    • Experimental LogP:

      3.292 Vitas-M STL146558
    • Experimental Flash Point:

      107.2 °C LabNetwork LN00009894
    • Experimental Gravity:

      1.18 g/mL Alfa Aesar A12540
    • Experimental Refraction Index:

      1.524 Alfa Aesar A12540
  • Miscellaneous
    • Appearance:

      Not Available Novochemy
      [NC-06278]
    • Safety:

      20/21/22 Novochemy
      [NC-06278]
      20/21/36/37/39 Novochemy
      [NC-06278]
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A12540
      GHS07; GHS09 Novochemy
      [NC-06278]
      H332; H403 Novochemy
      [NC-06278]
      P332+P313; P305+P351+P338 Novochemy
      [NC-06278]
      Warning Novochemy
      [NC-06278]
      Xn Novochemy
      [NC-06278]
  • Gas Chromatography
    • Retention Index (Kovats):

      1318 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column type: Capillary; Start T: 140 C; CAS no: 7335275; Active phase: SE-30; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XLI. Ethyl and .omega.-chloroethyl esters of benzoic and monochlorobenzoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 325, 1985, 433-443.) NIST Spectra nist ri
      1323 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column type: Capillary; Start T: 160 C; CAS no: 7335275; Active phase: SE-30; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XLI. Ethyl and .omega.-chloroethyl esters of benzoic and monochlorobenzoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 325, 1985, 433-443.) NIST Spectra nist ri
      1336 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column type: Capillary; Start T: 180 C; CAS no: 7335275; Active phase: SE-30; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XLI. Ethyl and .omega.-chloroethyl esters of benzoic and monochlorobenzoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 325, 1985, 433-443.) NIST Spectra nist ri
      1324 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Start T: 160 C; CAS no: 7335275; Active phase: SE-30; Carrier gas: N2; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri
      1331 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Start T: 180 C; CAS no: 7335275; Active phase: SE-30; Carrier gas: N2; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri
      1340 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Start T: 200 C; CAS no: 7335275; Active phase: SE-30; Carrier gas: N2; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra mainlib_343057, replib_119791, replib_280367, nist ri
      1327 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 180 C; CAS no: 7335275; Active phase: SE-30; Carrier gas: N2; Substrate: Chromosorb A AW; Data type: Kovats RI; Authors: Oszczapowicz, J.; Osek, J.; Ciszkowski, K.; Krawczyk, W.; Ostrowski, M., Retention Indices of Dimethylbenzamidines and Benzylideneamines on a Non-Polar Column, J. Chromatogr., 330, 1985, 79-85.) NIST Spectra nist ri
      1885 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 160 C; CAS no: 7335275; Active phase: OV-351; Carrier gas: N2; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri
      1893 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 180 C; CAS no: 7335275; Active phase: OV-351; Carrier gas: N2; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri
      1917 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 200 C; CAS no: 7335275; Active phase: OV-351; Carrier gas: N2; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri
    • Retention Index (Linear):

      1306 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 100 C; End T: 320 C; CAS no: 7335275; Active phase: SE-30; Carrier gas: N2; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 6 K/min; Start T: 100 C; End T: 280 C; CAS no: 7335275; Active phase: SE-30; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XLI. Ethyl and .omega.-chloroethyl esters of benzoic and monochlorobenzoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 325, 1985, 433-443.) NIST Spectra nist ri
      1316 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 10 K/min; Start T: 100 C; End T: 280 C; CAS no: 7335275; Active phase: SE-30; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XLI. Ethyl and .omega.-chloroethyl esters of benzoic and monochlorobenzoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 325, 1985, 433-443.) NIST Spectra nist ri
      1317 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 2 K/min; Start T: 100 C; End T: 280 C; CAS no: 7335275; Active phase: SE-30; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XLI. Ethyl and .omega.-chloroethyl esters of benzoic and monochlorobenzoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 325, 1985, 433-443.) NIST Spectra nist ri
      1315 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 100 C; End T: 320 C; CAS no: 7335275; Active phase: SE-30; Carrier gas: N2; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri
      1320 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 100 C; End T: 320 C; CAS no: 7335275; Active phase: SE-30; Carrier gas: N2; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri
      1830 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 100 C; End T: 230 C; CAS no: 7335275; Active phase: OV-351; Carrier gas: N2; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri
      1849 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 100 C; End T: 230 C; CAS no: 7335275; Active phase: OV-351; Carrier gas: N2; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri
      1863 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 100 C; End T: 230 C; CAS no: 7335275; Active phase: OV-351; Carrier gas: N2; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 238.1±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.5±3.0 kJ/mol
Flash Point: 107.2±15.3 °C
Index of Refraction: 1.523
Molar Refractivity: 47.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.04
ACD/KOC (pH 5.5): 1006.82
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.04
ACD/KOC (pH 7.4): 1006.82
Polar Surface Area: 26 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 155.8±3.0 cm3

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