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Home Page Flashcards Toluene C7H8 structure - Flashcards

Toluene C7H8 structure – Flashcards

Flashcard maker : Aiden Simmons

C7H8 structure
Molecular Formula C7H8
Average mass 92.138 Da
Density 0.9±0.1 g/cm3
Boiling Point 110.6±3.0 °C at 760 mmHg
Flash Point 4.4±0.0 °C
Molar Refractivity 31.1±0.3 cm3
Polarizability 12.3±0.5 10-24cm3
Surface Tension 28.8±3.0 dyne/cm
Molar Volume 105.7±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      -95 °C TCI T0260
      -93 °C Alfa Aesar
      -93 °C Oxford University Chemical Safety Data (No longer updated) More details
      -95 °C Jean-Claude Bradley Open Melting Point Dataset 13268
      -94.9 °C Jean-Claude Bradley Open Melting Point Dataset 22281
      -93 °C Jean-Claude Bradley Open Melting Point Dataset 16156, 8548
      -93 °C Alfa Aesar L10967, 43061, 19376, 19399, 22903, 31755, 41464, 41841, 47136
      -93 °C Oakwood 035922, 046885
      204 °C Biosynth Q-200120
      -95 °C LabNetwork LN00162826
      -95 °C FooDB FDB012454

    • Experimental Boiling Point:

      111 °C Alfa Aesar
      232 F (111.1111 °C)
      NIOSH XS5250000
      110.6 °C Oxford University Chemical Safety Data (No longer updated) More details
      111 °C Alfa Aesar L10967, 43061, 19376, 19399, 22903, 31755, 41464, 41841, 47136
      110-111 °C Oakwood 035922, 046885
      111 °C LabNetwork LN00162826
      14.56 °C / 14.5 mmHg (124.2369 °C / 760 mmHg)
      FooDB FDB012454

    • Experimental Ionization Potent:

      8.82 Ev NIOSH XS5250000

    • Experimental Vapor Pressure:

      21 mmHg NIOSH XS5250000

    • Experimental LogP:

      2.73 Egon Willighagen http://dx.doi.org/10.1021/ci050282s

    • Experimental Flash Point:

      4 °C Alfa Aesar
      40 F (4.4444 °C)
      NIOSH XS5250000
      4 °C Oxford University Chemical Safety Data (No longer updated) More details
      4 °C Alfa Aesar
      4 °F (-15.5556 °C)
      Alfa Aesar L10967, 43061, 19376, 19399, 22903, 31755, 41464, 41841, 47136
      4 °C Oakwood 035922, 046885
      40 °C LabNetwork LN00162826

    • Experimental Freezing Point:

      -139 F (-95 °C)
      NIOSH XS5250000

    • Experimental Gravity:

      0.867 g/mL Alfa Aesar L10967, 43061, 19376, 19399, 22903, 31755, 41464, 41841, 47136
      0.865 g/mL Oakwood 035922, 046885
      332 g/mL Biosynth Q-200120

    • Experimental Refraction Index:

      1.4967 Alfa Aesar L10967, 43061, 41841, 41464, 31755, 22903, 19399, 19376
      20 FooDB FDB012454

    • Experimental Solubility:

      Very slightly soluble in water. Miscible with alcohol, chloroform, ether, glacial acetic acid, carbon disulfide Alfa Aesar 31755
  • Predicted Physico-chemical Properties

    • Predicted Melting Point:

      -93 °C J&K Scientific 272729
      -95 °C TCI
      -95 °C TCI T0260
  • Miscellaneous

    • Appearance:

      Colorless liquid with a sweet, pungent, benzene-like odor. NIOSH XS5250000
      Colourless liquid with a benzene-like odour (odour threshold 0.17 ppm) Oxford University Chemical Safety Data (No longer updated) More details

    • Toxicity:

      ORL-RAT LD50 636 mg kg-1 , IPR-RAT LD50 1332 mg kg-1 , IPR-MUS LD50 59 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details

    • Safety:

      11-38-48/20-63-65-67 Alfa Aesar 19376, 19399, 22903, 31755, 41464, 41841, 43061, 47136, L10967
      2-36/37-46-62 Alfa Aesar 19376, 19399, 22903, 31755
      3 Alfa Aesar 19376, 19399, 22903, 31755, 41464, 41841, 43061, 47136, L10967
      36/37-46-62 Alfa Aesar 19376, 19399, 22903, 31755, 41464, 41841, 43061, 47136, L10967
      9-16-23-36/37-60-62 Alfa Aesar 19376, 19399, 22903, 31755, 41464, 41841, 43061, 47136
      Danger Alfa Aesar 19376, 19399, 22903, 31755, 41464, 41841, 43061, 47136, L10967
      DANGER: FLAMMABLE, causes CNS injury, lung & eye irritation Alfa Aesar 19376, 19399, 22903, 31755, 41464, 41841, 43061, L10967
      H225-H304-H361d-H373-H315-H336 Alfa Aesar 19376, 19399, 22903, 31755, 41464, 41841, 43061, 47136, L10967
      P210-P260-P301+P310-P303+P361+P353-P405-P501a Alfa Aesar 19376, 19399, 22903, 31755, 41464, 41841, 43061, 47136, L10967

    • First-Aid:

      Eye: Irrigate immediately Skin: Soap wash promptly Breathing: Respiratory support Swallow: Medical attention immediately NIOSH XS5250000

    • Exposure Routes:

      inhalation, skin absorption, ingestion, skin and/or eye contact NIOSH XS5250000

    • Symptoms:

      Irritation eyes, nose; lassitude (weakness, exhaustion), confusion, euphoria, dizziness, headache; dilated pupils, lacrimation (discharge of tears); anxiety, muscle fatigue, insomnia; paresthesia; der
      matitis; liver, kidney damage NIOSH XS5250000

    • Target Organs:

      Eyes, skin, respiratory system, central nervous system, liver, kidneys NIOSH XS5250000

    • Incompatibility:

      Strong oxidizers NIOSH XS5250000

    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet (flammable) Change: No recommendation NIOSH XS5250000

    • Exposure Limits:

      NIOSH REL : TWA 100 ppm (375 mg/m 3 ) ST 150 ppm (560 mg/m 3 ) OSHA PEL ?: TWA 200 ppm C 300 ppm 500 ppm (10-minute maximum peak) NIOSH XS5250000
  • Gas Chromatography

    • Retention Index (Kovats):

      794 (estimated with error: 55) NIST Spectra mainlib_227551, replib_19585, replib_19587, replib_45321, replib_61211, replib_291301, replib_379858
      751.6 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 50 C; CAS no: 108883; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 81, 2005, 184-190.) NIST Spectra nist ri
      752.6 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 40 C; CAS no: 108883; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 81, 2005, 184-190.) NIST Spectra nist ri
      754.8 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 10 C; CAS no: 108883; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 81, 2005, 184-190.) NIST Spectra nist ri
      755.2 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 30 C; CAS no: 108883; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 81, 2005, 184-190.) NIST Spectra nist ri
      755.3 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 50 m; Column type: Capillary; Start T: 86 C; CAS no: 108883; Active phase: Squalane; Carrier gas: N2; Data type: Kovats RI; Authors: Nabivach, V.M.; Kirilenko, A.V., The use of retention indices for identifying the components of crude benzene, Solid Fuel Chem. (Engl. Transl.), 13(3), 1979, 82-87, In original 90-96., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 60 C; CAS no: 108883; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 81, 2005, 184-190.) NIST Spectra nist ri
      759.7 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 0 C; CAS no: 108883; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 81, 2005, 184-190.) NIST Spectra nist ri
      760.9 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 20 C; CAS no: 108883; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 81, 2005, 184-190.) NIST Spectra nist ri
      786 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 3.7 m; Column type: Packed; Start T: 130 C; CAS no: 108883; Active phase: Apolane; Data type: Kovats RI; Authors: Dutoit, J., Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases, J. Chromatogr., 555, 1991, 191-204., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 90 C; CAS no: 108883; Active phase: PMS-1000; Carrier gas: N2; Substrate: Chromaton N-AW-DMCS; Data type: Kovats RI; Authors: Arutyunov, Y.I.; Kudryashov, S.Y.; Onuchak, L.A., Analysis of Mixtures Containing Unknown Components by Gas Chromatography: Determination of Molecular Mass, J. Anal. Chem. USSR (Engl. Transl.), 59(4), 2004, 358-365, In original 403-411.) NIST Spectra nist ri
      751.72 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Start T: 313 C; CAS no: 108883; Active phase: DB-1; Phase thickness: 1 um; Data type: Kovats RI; Authors: Ciaznska-Halarewicz, K.; Kowalska, T., A study of the dependence of the Kovats retention index on the temperature of analysis on stationary phases of different polarity, Acta Chromatogr., 13, 2003, 69-80.) NIST Spectra nist ri
      753.79 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Start T: 323 C; CAS no: 108883; Active phase: DB-1; Phase thickness: 1 um; Data type: Kovats RI; Authors: Ciaznska-Halarewicz, K.; Kowalska, T., A study of the dependence of the Kovats retention index on the temperature of analysis on stationary phases of different polarity, Acta Chromatogr., 13, 2003, 69-80.) NIST Spectra nist ri
      756.18 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Start T: 333 C; CAS no: 108883; Active phase: DB-1; Phase thickness: 1 um; Data type: Kovats RI; Authors: Ciaznska-Halarewicz, K.; Kowalska, T., A study of the dependence of the Kovats retention index on the temperature of analysis on stationary phases of different polarity, Acta Chromatogr., 13, 2003, 69-80.) NIST Spectra nist ri
      758.31 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Start T: 343 C; CAS no: 108883; Active phase: DB-1; Phase thickness: 1 um; Data type: Kovats RI; Authors: Ciaznska-Halarewicz, K.; Kowalska, T., A study of the dependence of the Kovats retention index on the temperature of analysis on stationary phases of different polarity, Acta Chromatogr., 13, 2003, 69-80.) NIST Spectra nist ri
      760.55 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Start T: 353 C; CAS no: 108883; Active phase: DB-1; Phase thickness: 1 um; Data type: Kovats RI; Authors: Ciaznska-Halarewicz, K.; Kowalska, T., A study of the dependence of the Kovats retention index on the temperature of analysis on stationary phases of different polarity, Acta Chromatogr., 13, 2003, 69-80.) NIST Spectra nist ri
      763.41 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Start T: 363 C; CAS no: 108883; Active phase: DB-1; Phase thickness: 1 um; Data type: Kovats RI; Authors: Ciaznska-Halarewicz, K.; Kowalska, T., A study of the dependence of the Kovats retention index on the temperature of analysis on stationary phases of different polarity, Acta Chromatogr., 13, 2003, 69-80.) NIST Spectra nist ri
      765.53 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Start T: 373 C; CAS no: 108883; Active phase: DB-1; Phase thickness: 1 um; Data type: Kovats RI; Authors: Ciaznska-Halarewicz, K.; Kowalska, T., A study of the dependence of the Kovats retention index on the temperature of analysis on stationary phases of different polarity, Acta Chromatogr., 13, 2003, 69-80.) NIST Spectra nist ri
      767.08 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Start T: 383 C; CAS no: 108883; Active phase: DB-1; Phase thickness: 1 um; Data type: Kovats RI; Authors: Ciaznska-Halarewicz, K.; Kowalska, T., A study of the dependence of the Kovats retention index on the temperature of analysis on stationary phases of different polarity, Acta Chromatogr., 13, 2003, 69-80.) NIST Spectra nist ri
      769.68 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Start T: 393 C; CAS no: 108883; Active phase: DB-1; Phase thickness: 1 um; Data type: Kovats RI; Authors: Ciaznska-Halarewicz, K.; Kowalska, T., A study of the dependence of the Kovats retention index on the temperature of analysis on stationary phases of different polarity, Acta Chromatogr., 13, 2003, 69-80.) NIST Spectra nist ri
      773.08 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Start T: 403 C; CAS no: 108883; Active phase: DB-1; Phase thickness: 1 um; Data type: Kovats RI; Authors: Ciaznska-Halarewicz, K.; Kowalska, T., A study of the dependence of the Kovats retention index on the temperature of analysis on stationary phases of different polarity, Acta Chromatogr., 13, 2003, 69-80.) NIST Spectra nist ri
      774.96 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Start T: 413 C; CAS no: 108883; Active phase: DB-1; Phase thickness: 1 um; Data type: Kovats RI; Authors: Ciaznska-Halarewicz, K.; Kowalska, T., A study of the dependence of the Kovats retention index on the temperature of analysis on stationary phases of different polarity, Acta Chromatogr., 13, 2003, 69-80.) NIST Spectra nist ri
      777.86 (Program type: Iso

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