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Home Page Flashcards 1-Propanol C3H8O structure - Flashcards

1-Propanol C3H8O structure – Flashcards

Flashcard maker : Patrick Marsh

C3H8O structure
Molecular Formula C3H8O
Average mass 60.095 Da
Density 0.8±0.1 g/cm3
Boiling Point 95.8±3.0 °C at 760 mmHg
Flash Point 15.0±0.0 °C
Molar Refractivity 17.5±0.3 cm3
Polarizability 6.9±0.5 10-24cm3
Surface Tension 24.6±3.0 dyne/cm
Molar Volume 75.6±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      -127 °C Alfa Aesar
      -127 °C Oxford University Chemical Safety Data (No longer updated) More details
      -126 °C Jean-Claude Bradley Open Melting Point Dataset 13119
      -127 °C Jean-Claude Bradley Open Melting Point Dataset 12, 16082
      -126.1 °C Jean-Claude Bradley Open Melting Point Dataset 22312
      -127 °C Alfa Aesar A19902, 43848, 22933, 22932, 41465, 41842
      -127 °C J&K Scientific 906734
      0.804 °C LabNetwork LN00163264
      -127 °C FooDB FDB008280

    • Experimental Boiling Point:

      97 °C Alfa Aesar
      207 F (97.2222 °C)
      NIOSH UH8225000
      97 °C Food and Agriculture Organization of the United Nations 1-Propanol
      97 °C Oxford University Chemical Safety Data (No longer updated) More details
      97 °C Alfa Aesar A19902, 43848, 22933, 22932, 41465, 41842
      97 °C J&K Scientific 906734
      97.2 °C LabNetwork LN00163264
      97.4 °C FooDB FDB008280

    • Experimental Ionization Potent:

      10.15 Ev NIOSH UH8225000

    • Experimental Vapor Pressure:

      15 mmHg NIOSH UH8225000

    • Experimental Flash Point:

      15 °C Alfa Aesar
      72 F (22.2222 °C)
      NIOSH UH8225000
      15 °C Oxford University Chemical Safety Data (No longer updated) More details
      15 °C Alfa Aesar
      15 °F (-9.4444 °C)
      Alfa Aesar A19902, 43848, 22933, 22932, 41465, 41842
      59 °C LabNetwork LN00163264

    • Experimental Freezing Point:

      -196 F (-126.6667 °C)
      NIOSH UH8225000

    • Experimental Gravity:

      0.804 g/mL Alfa Aesar A19902, 43848, 22933, 22932, 41465, 41842

    • Experimental Refraction Index:

      1.384 Alfa Aesar A19902, 43848, 41842, 41465, 22933, 22932
      1.383-1.388 Food and Agriculture Organization of the United Nations 1-Propanol
      1.384 J&K Scientific 906734
      20 FooDB FDB008280

    • Experimental Solubility:

      Miscible NIOSH UH8225000
  • Predicted Physico-chemical Properties

    • Predicted Melting Point:

      -127 °C J&K Scientific 942623, 906734
  • Miscellaneous

    • Appearance:

      Colorless liquid with a mild, alcohol-like odor. NIOSH UH8225000
      colourless liquid Oxford University Chemical Safety Data (No longer updated) More details
      colourless liquid Food and Agriculture Organization of the United Nations 1-Propanol

    • Stability:

      Stable. May form peroxides in contact with air.Incompatible with alkali metals, alkaline earths, aluminium, oxidizing agents,nitro compounds. Highly flammable. Vapour/air mixtures explosive. Oxford University Chemical Safety Data (No longer updated) More details

    • Toxicity:

      ORL-RAT LD50 1870 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details

    • Safety:

      11-41-67 Alfa Aesar 22932, 22933, 41465, 41842, 43848, A19902
      3 Alfa Aesar 22932, 22933, 41465, 41842, 43848, A19902
      7-16-24-26-39 Alfa Aesar 22932, 22933, 41465, 41842, 43848, A19902
      Danger Alfa Aesar 22932, 22933, 41465, 41842, 43848, A19902
      DANGER: FLAMMABLE, causes narcosis, irritation Alfa Aesar 22932, 22933, 41465, 41842, 43848, A19902
      H225-H318-H336 Alfa Aesar 22932, 22933, 41465, 41842, 43848, A19902
      P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar 22932, 22933, 41465, 41842, 43848, A19902
      Safety glasses, and adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details

    • First-Aid:

      Eye: Irrigate immediately Skin: Water flush Breathing: Respiratory support Swallow: Medical attention immediately NIOSH UH8225000

    • Exposure Routes:

      inhalation, skin absorption, ingestion, skin and/or eye contact NIOSH UH8225000

    • Symptoms:

      Irritation eyes, nose, throat; dry cracking skin; drowsiness, headache; ataxia, gastrointestinal pain; abdominal cramps, nausea, vomiting, diarrhea; in animals: narcosis NIOSH UH8225000

    • Target Organs:

      Eyes, skin, respiratory system, gastrointestinal tract, central nervous system NIOSH UH8225000

    • Incompatibility:

      Strong oxidizers NIOSH UH8225000

    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet (flammable) Change: No recommendation NIOSH UH8225000

    • Exposure Limits:

      NIOSH REL : TWA 200 ppm (500 mg/m 3 ) ST 250 ppm (625 mg/m 3 ) [skin] OSHA PEL ?: TWA 200 ppm (500 mg/m 3 ) NIOSH UH8225000
  • Gas Chromatography

    • Retention Index (Kovats):

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      536.9 (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: 60 C; CAS no: 71238; 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
      543.7 (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: 50 C; CAS no: 71238; 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
      549.7 (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: 40 C; CAS no: 71238; 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
      558.2 (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: 71238; 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
      559.3 (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: 71238; 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
      561.2 (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: 0 C; CAS no: 71238; 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
      561.4 (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: 71238; 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
      521 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 50 C; CAS no: 71238; Active phase: Squalane; Substrate: Chromosorb G; Data type: Kovats RI; Authors: Mira, J.M.; Sanchez, L.G., Polarity of the Gas Chromatographic Stationary Phases and Retention Indices of Aliphatic Esters, Ketones and Alcohols, Anal. Chim. Acta., 50, 1970, 315-321., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 90 C; CAS no: 71238; 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
      540.5 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 120 C; CAS no: 71238; Active phase: SE-30; Carrier gas: He; Phase thickness: 1 um; Data type: Kovats RI; Authors: Golovnya, R.V.; Kuz’menko, T.E.; Samusenko, A.L., Gas-chromatographic method of evaluation of n-alkanol ability for self-association in pure liquid, Russ. Chem. Bull. (Engl. Transl.), 49(2), 2000, 317-320., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 120 C; CAS no: 71238; Active phase: SE-30; Carrier gas: He; Phase thickness: 1 um; Data type: Kovats RI; Authors: Golovnya, R.V.; Kuz’menko, T.e.; Samusenko, A.L., Method for prediction of the ability of analyte for self-association in pure liquid, 2000.) NIST Spectra nist ri
      541.5 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 130 C; CAS no: 71238; Active phase: SE-30; Carrier gas: He; Phase thickness: 1 um; Data type: Kovats RI; Authors: Golovnya, R.V.; Kuz’menko, T.E.; Samusenko, A.L., Gas-chromatographic method of evaluation of n-alkanol ability for self-association in pure liquid, Russ. Chem. Bull. (Engl. Transl.), 49(2), 2000, 317-320., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 130 C; CAS no: 71238; Active phase: SE-30; Carrier gas: He; Phase thickness: 1 um; Data type: Kovats RI; Authors: Golovnya, R.V.; Kuz’menko, T.e.; Samusenko, A.L., Method for prediction of the ability of analyte for self-association in pure liquid, 2000.) NIST Spectra nist ri
      542.3 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 110 C; CAS no: 71238; Active phase: SE-30; Carrier gas: He; Phase thickness: 1 um; Data type: Kovats RI; Authors: Golovnya, R.V.; Kuz’menko, T.E.; Samusenko, A.L., Gas-chromatographic method of evaluation of n-alkanol ability for self-association in pure liquid, Russ. Chem. Bull. (Engl. Transl.), 49(2), 2000, 317-320., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 110 C; CAS no: 71238; Active phase: SE-30; Carrier gas: He; Phase thickness: 1 um; Data type: Kovats RI; Authors: Golovnya, R.V.; Kuz’menko, T.e.; Samusenko, A.L., Method for prediction of the ability of analyte for self-association in pure liquid, 2000.) NIST Spectra nist ri
      544.6 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 100 C; CAS no: 71238; Active phase: SE-30; Carrier gas: He; Phase thickness: 1 um; Data type: Kovats RI; Authors: Golovnya, R.V.; Kuz’menko, T.E.; Samusenko, A.L., Gas-chromatographic method of evaluation of n-alkanol ability for self-association in pure liquid, Russ. Chem. Bull. (Engl. Transl.), 49(2), 2000, 317-320., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 100 C; CAS no: 71238; Active phase: SE-30; Carrier gas: He; Phase thickness: 1 um; Data type: Kovats RI; Authors: Golovnya, R.V.; Kuz’menko, T.e.; Samusenko, A.L., Method for prediction of the ability of analyte for self-association in pure liquid, 2000.) NIST Spectra nist ri
      551.4 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 66 C; CAS no: 71238; Active phase: SE-30; Carrier gas: He; Phase thickness: 1 um; Data type: Kovats RI; Authors: Golovnya, R.V.; Kuz’menko, T.E.; Samusenko, A.L., Gas-chromatographic method of evaluation of n-alkanol ability for self-association in pure liquid, Russ. Chem. Bull. (Engl. Transl.), 49(2), 2000, 317-320., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 66 C; CAS no: 71238; Active phase: SE-30; Carrier gas: He; Phase thickness: 1 um; Data type: Kovats RI; Authors: Golovnya, R.V.; Kuz’menko, T.e.; Samusenko, A.L., Method for prediction of the ability of analyte for self-association in pure liquid, 2000.) NIST Spectra nist ri
      553.6 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 58 C; CAS no: 71238; Active phase: SE-30; Carrier gas: He; Phase thickness: 1 um; Data type: Kovats RI; Authors: Golovnya, R.V.; Kuz’menko, T.e.; Samusenko, A.L., Method for prediction of the ability of analyte for self-association in pure liquid, 2000.) NIST Spectra nist ri
      556.5 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 48 C; CAS no: 71238; Active phase: SE-30; Carrier gas: He; Phase thickness: 1 um; Data type: Kovats RI; Authors: Golovnya, R.V.; Kuz’menko, T.E.; Samusenko, A.L., Gas-chromatographic method of evaluation of n-alkanol ability for self-association in pure liquid, Russ. Chem. Bull. (Engl. Transl.), 49(2), 2000, 317-320., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 48 C; CAS no: 71238; Active phase: SE-30; Carrier gas: He; Phase thickness: 1 um; Data type: Kovats RI; Authors: Golovnya, R.V.; Kuz’menko, T.e.; Samusenko, A.L., Method for prediction of the ability of analyte for self-association in pure liquid, 2000.) NIST Spectra nist ri
      553.5 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 58 C; CAS no: 71238; Active phase: SE-30; Carrier gas: He; Phase thickness: 1 um; Data type: Kovats RI; Authors: Golovnya, R.V.; Kuz’menko, T.E.; Samusenko, A.L., Gas-chromatographic method of evaluation of n-alkanol ability for self-association in pure liquid, Russ. Chem. Bull. (Engl. Transl.), 49(2), 2000, 317-320.) NIST Spectra nist ri
      561 (Program type: Complex; Column… (show more) class: Standard non-polar; Column diameter: 0.2 mm; Column length: 100 m; Column type: Capillary; Description: 5C(10min)=>5C/min=>50C(48min)=>1.5C/min=>195C(91min); CAS no: 71238; Active phase: Petrocol DH-100; Carrier gas: He; Data type: Kovats RI; Authors: Haagen-Smit Laboratory, Procedure for the detailed hydrocarbon analysis of gasolines by single column high efficiency (capillary) column gas chromatography, SOP NO. MLD 118, Revision No. 1.1, California Environmental Protection Agency, Air Resources Board, El Monte, California, 1997, 22.) NIST Spectra nist ri
      546 (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: 80 C; CAS no: 71238; Active phase: SE-30; Data type: Kovats RI; Authors: Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXVII. Retention increments of C1-C18 primary alkanols and their 2-chloropropanoyl and 3-chloropropanoyl derivatives on SE-30 and OV-351 capillary columns, J. Chromatogr., 319, 1985, 131-142.) NIST Spectra nist ri
      565 (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: 100 C; CAS no: 71238; Active phase: SE-30; Data type: Kovats RI; Authors: Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXVII. Retention increments of C1-C18 primary alkanols and their 2-chloropropanoyl and 3-chloropropanoyl derivatives on SE-30 and OV-351 capillary columns, J. Chromatogr., 319, 1985, 131-142.) NIST Spectra nist ri
      575 (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: 120 C; CAS no: 71238; Active phase: SE-30; Data type: Kovats RI; Authors: Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXVII. Retention increments of C1-C18 primary alkanols and their 2-chloropropanoyl and 3-chloropropanoyl derivatives on SE-30 and OV-351 capillary columns, J. Chromatogr., 319, 1985, 131-142.) NIST Spectra nist ri
      555 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 150 C; CAS no: 71238; 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
      530 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 12 ft; Column type: Packed; Start T: 150 C; CAS no: 71238; Active phase: SE-30; Substrate: Celatom AW silanized; Data type: Kovats RI; Authors: Haken, J.K.; Nguyen, A.; Wainwright, M.S., Application of linear extrathermodynamic relationships to alcohols, aldehydes, ketones, amd ethoxy alcohols, J. Chromatogr., 179, 1979, 75-85., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 100 C; CAS no: 71238; 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
      544 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 1 m; Column type: Packed; Start T: 100 C; CAS no: 71238; Active phase: SE-30; Carrier gas: Ar; Substrate: Chromosorb W AW DMCS HP (80-100 mesh); Data type: Kovats RI; Authors: Pias, J.B.; Gasco, L., GC Retention Data of Alcohols and Benzoyl Derivatives of Alcohols, J. Chromatogr. – Chrom. Data, , 1975, d14-d16.) NIST Spectra nist ri
      562 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 100 C; CAS no: 71238; Active phase: SE-30; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Zarazir, D.; Chovin, P.; Guiochon, G., Identification of hydroxylic compounds and their derivatives by gas chromatography, Chromatographia, 3, 1970, 180-195.) NIST Spectra mainlib_113122, replib_18988, replib_150332, replib_228215, nist ri
      520 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 4 m; Column type: Packed; Start T: 120 C; CAS no: 71238; Active phase: DC-200; Substrate: Celite; Data type: Kovats RI; Authors: Reymond, D.; Mueggler-Chavan, F.; Viani, R.; Vuataz, L.; Egli, R.H., Gas chromatographic analysis of steam volatile aroma constituents: application to coffee, tea and cocoa aromas, J. Gas Chromatogr., , 1966, 28-31.) NIST Spectra nist ri
      547 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 4 m; Column type: Packed; Start T: 100 C; CAS no: 71238; Active phase: DC-200; Data type: Kovats RI; Authors: Rohrschneider, L., Eine methode zur charakterisierung von gaschromatographischen trennflussigkeiten, J. Chromatogr., 22, 1966, 6-22.) NIST Spectra nist ri