Tetrahydrofuran C4H8O structure – Flashcards

Flashcard maker : Daniel Thompson

Molecular Formula C4H8O
Average mass 72.106 Da
Density 0.9±0.1 g/cm3
Boiling Point 68.3±8.0 °C at 760 mmHg
Flash Point -17.2±0.0 °C
Molar Refractivity 20.1±0.3 cm3
Polarizability 7.9±0.5 10-24cm3
Surface Tension 28.8±3.0 dyne/cm
Molar Volume 79.8±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      -108 °C TCI T0856, T0104, T2394
      -108 °C Alfa Aesar
      -108 °C Oxford University Chemical Safety Data (No longer updated) More details
      -108.44 °C Jean-Claude Bradley Open Melting Point Dataset 20454
      -108 °C Jean-Claude Bradley Open Melting Point Dataset 13151, 16143, 8489
      -108 °C Alfa Aesar 22904, 42254, 30760, L13304, 41820, 41819, 47122, 44608, 38994, 44505, 32468
    • Experimental Boiling Point:

      66 °C Alfa Aesar
      151 F (66.1111 °C)
      NIOSH LU5950000
      66 °C Oxford University Chemical Safety Data (No longer updated) More details
      66 °C Alfa Aesar 22904, 42254, 30760, L13304, 41820, 41819, 47122, 44608, 38994, 44505, 32468
      65-67 °C Oakwood 035914
    • Experimental Ionization Potent:

      9.45 Ev NIOSH LU5950000
    • Experimental Vapor Pressure:

      132 mmHg NIOSH LU5950000
    • Experimental Flash Point:

      6 F (-14.4444 °C)
      NIOSH LU5950000
      -14 °C Oxford University Chemical Safety Data (No longer updated) More details
      -17 °C Alfa Aesar
      -17 °F (-27.2222 °C)
      Alfa Aesar 22904, 42254, 30760, L13304, 41820, 41819, 47122, 44608, 38994, 44505, 32468
      -17 °C Oakwood 035914
    • Experimental Freezing Point:

      -163 F (-108.3333 °C)
      NIOSH LU5950000
    • Experimental Gravity:

      0.889 g/mL Alfa Aesar 22904, 42254, 30760, L13304, 41820, 41819, 47122, 44608, 38994, 44505, 32468
      0.889 g/mL Oakwood 035914
    • Experimental Refraction Index:

      1.407 Alfa Aesar 44608, 44505, 42254, 41820, 41819, 38994, 32468, 30760, 22904, L13304
    • Experimental Solubility:

      0.56 Egon Willighagen http://dx.doi.org/10.1021/ci050282s
      Miscible NIOSH LU5950000
  • Predicted Physico-chemical Properties
    • Predicted Melting Point:

      -108 °C J&K Scientific 990407, 168395
      -108 °C TCI
      -108 °C TCI T0856, T0104, T2394
  • Miscellaneous
    • Appearance:

      Colorless liquid with an ether-like odor. NIOSH LU5950000
      colourless liquid with ether-like odour Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Incompatible with halogens, strong oxidizing agents, strongreducing agents, strong bases, oxygen. May generate explosive peroxides in storage ifin contact with air. Highly flammable. Store a
      t room temperature under nitrogen.Hazardous polymerisation may occur. Light sensitive. May contain2,6-di-tertbutyl-4-methylphenol (BHT) as a stabiliser. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      ORL-RAT LD50 2816 mg kg-1, IPR-RAT LD50 2900 mg kg-1, IPR-MUS LD50 1900 mg kg-1, ORL-GPG LD50 2300 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      11-19-36/37 Alfa Aesar 22904, 30760, 32468, 38994, 41819, 41820, 42254, 44505, 44608, L13304
      11-19-36/37-40 Alfa Aesar 22904, 30760, 32468, 38994, 41819, 41820, 42254, 44505, 44608, 47122, L13304
      13-16-29-33-36/37-46 Alfa Aesar 22904, 30760, 32468, 38994, 41819, 41820, 42254, 44505, 44608, 47122, L13304
      16-29-33 Alfa Aesar 22904, 30760, 32468, 38994, 41819, 41820, 42254, 44505, 44608, L13304
      3 Alfa Aesar 22904, 30760, 32468, 38994, 41819, 41820, 42254, 44505, 44608, 47122, L13304
      9-16-23-26-33-36/37-60 Alfa Aesar 22904, 30760, 32468, 38994, 41819, 41820, 42254, 44505, 44608, 47122
      Danger Alfa Aesar 22904, 30760, 32468, 38994, 41819, 41820, 42254, 44505, 44608, 47122, L13304
      DANGER: FLAMMABLE, causes CNS effects, irritates skin & eyes Alfa Aesar 22904, 30760, 32468, 38994, 41819, 41820, 42254, 44505, 44608, L13304
      F,Xi Abblis Chemicals AB1007265
      H225-H351-H319-H335-EUH019 Alfa Aesar 22904, 30760, 32468, 38994, 41819, 41820, 42254, 44505, 44608, 47122, L13304
      P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar 22904, 30760, 32468, 38994, 41819, 41820, 42254, 44505, 44608, 47122, L13304
      Safety glasses, nitrile gloves. Effective ventilation. Oxford University Chemical Safety Data (No longer updated) More details
    • First-Aid:

      Eye: Irrigate immediately Skin: Water flush promptly Breathing: Respiratory support Swallow: Medical attention immediately NIOSH LU5950000
    • Exposure Routes:

      inhalation, ingestion, skin and/or eye contact NIOSH LU5950000
    • Symptoms:

      Irritation eyes, upper respiratory system; nausea, dizziness, headache, central nervous system depression NIOSH LU5950000
    • Target Organs:

      Eyes, respiratory system, central nervous system NIOSH LU5950000
    • Incompatibility:

      Strong oxidizers, lithium-aluminum alloys [Note: Peroxides may accumulate upon prolonged storage in presence of air.] NIOSH LU5950000
    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet (flammable) Change: No recommendation NIOSH LU5950000
    • Exposure Limits:

      NIOSH REL : TWA 200 ppm (590 mg/m 3 ) ST 250 ppm (735 mg/m 3 ) OSHA PEL ?: TWA 200 ppm (590 mg/m 3 ) NIOSH LU5950000
  • Gas Chromatography
    • Retention Index (Kovats):

      589 (estimated with error: 68) NIST Spectra mainlib_227725, replib_297, replib_118704
      617 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 25 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 200 C; Start time: 5 min; CAS no: 109999; Active phase: CBP-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003.) NIST Spectra nist ri
      630 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 150 C; CAS no: 109999; Active phase: SE-30; Carrier gas: Ar; Substrate: Gas Chrom Q (80-100 mesh); Data type: Kovats RI; Authors: Tiess, D., Gaschromatographische Retentionsindices von 125 leicht- bis mittelfluchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30, Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 33, 1984, 6-9.) NIST Spectra nist ri
      626 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 100 C; CAS no: 109999; Active phase: SE-30; Substrate: Gaschrom Q; Data type: Kovats RI; Authors: Winskowski, J., Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren, Chromatographia, 17(3), 1983, 160-165.) NIST Spectra nist ri
      609 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.28 mm; Column length: 70 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 80 C; End T: 200 C; CAS no: 109999; Active phase: OV-101; Carrier gas: N2; Data type: Kovats RI; Authors: Yamaguchi, K.; Shibamoto, T., Volatile constituents of Castanopsis flower, J. Agric. Food Chem., 27(4), 1979, 847-850.) NIST Spectra nist ri
      610 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.28 mm; Column length: 70 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 80 C; End T: 200 C; CAS no: 109999; Active phase: OV-101; Carrier gas: N2; Data type: Kovats RI; Authors: Yamaguchi, K.; Shibamoto, T., Volatile constituents of Castanopsis flower, J. Agric. Food Chem., 27(4), 1979, 847-850.) NIST Spectra nist ri
      609.9 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 3.3 m; Column type: Packed; Start T: 130 C; CAS no: 109999; Active phase: C78, Branched paraffin; Carrier gas: He; Data type: Kovats RI; Authors: Dallos, A.; Sisak, A.; Kulcsar, Z.; Kovats, E., Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups, J. Chromatogr. A, 904, 2000, 211-242.) NIST Spectra nist ri
      609.8 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 3.3 m; Column type: Packed; Start T: 130 C; CAS no: 109999; Active phase: C78, Branched paraffin; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 609, 1992, 229-259.) NIST Spectra nist ri
      611 (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: 109999; 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.) NIST Spectra nist ri
      621 (Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 12 K/min; Start T: 0 C; End T: 250 C; Start time: 12 min; CAS no: 109999; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F., Volatile components of chickpea (Cicer arietinum L.) seed, J. Agric. Food Chem., 37(3), 1989, 659-662.) NIST Spectra nist ri
      618 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.25 m; Column type: Packed; Start T: 70 C; CAS no: 109999; Active phase: Apiezon L; Substrate: Celite; Data type: Kovats RI; Authors: Wehrli, A.; Kovats, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 7, 1959, 2709-2736., Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 70 C; CAS no: 109999; Active phase: Apiezon L; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
      620 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 120 C; CAS no: 109999; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
      631 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.25 m; Column type: Packed; Start T: 130 C; CAS no: 109999; Active phase: Apiezon L; Substrate: Celite; Data type: Kovats RI; Authors: Wehrli, A.; Kovats, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 7, 1959, 2709-2736., Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 109999; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
      602.6 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 70 C; CAS no: 109999; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      612.9 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 130 C; CAS no: 109999; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      640 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 170 C; CAS no: 109999; Active phase: Silicon High Vacuum Grease (obsolete); Carrier gas: H2; Data type: Kovats RI; Authors: Jonas, J.; Janak, J.; Kratochvil, M., Structural investigations with the aid of Kovats retention index system on one (nonpolar) stationary phase, J. Gas Chromatogr., , 1966, 332-335., Program

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