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Home Page Flashcards Diphenyl ether C12H10O structure - Flashcards

Diphenyl ether C12H10O structure – Flashcards

Flashcard maker : Rebecca Baker

Molecular Formula C12H10O
Average mass 170.207 Da
Density 1.1±0.1 g/cm3
Boiling Point 258.3±0.0 °C at 760 mmHg
Flash Point 99.3±14.4 °C
Molar Refractivity 52.7±0.3 cm3
Polarizability 20.9±0.5 10-24cm3
Surface Tension 38.4±3.0 dyne/cm
Molar Volume 160.0±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      25-27 °C SynQuest
      27 °C Oxford University Chemical Safety Data (No longer updated) More details
      24-28 °C Merck Millipore 3615, 820978
      27 °C Jean-Claude Bradley Open Melting Point Dataset 15752
      26.8 °C Jean-Claude Bradley Open Melting Point Dataset 20652
      28 °C Jean-Claude Bradley Open Melting Point Dataset 14186, 6959
      26-29 °C Alfa Aesar A15791
      25-27 °C SynQuest 59286, 2607-1-X1
      26 °C LabNetwork LN00196900
      37-39 °C / 28 mmHg FooDB FDB012853

    • Experimental Boiling Point:

      498 F (258.8889 °C)
      NIOSH KN8970000
      259 °C Food and Agriculture Organization of the United Nations 1,1′-Oxybis-benzene
      258 °C Oxford University Chemical Safety Data (No longer updated) More details
      258-260 °C Alfa Aesar A15791
      258-260 °C SynQuest 59286, 2607-1-X1
      259 °C LabNetwork LN00196900
      259 °C FooDB FDB012853

    • Experimental Ionization Potent:

      8.09 Ev NIOSH KN8970000

    • Experimental Flash Point:

      27 °C TCI P0177
      239 F (115 °C)
      NIOSH KN8970000
      115 °C Oxford University Chemical Safety Data (No longer updated) More details
      125 °C Alfa Aesar
      125 °F (51.6667 °C)
      Alfa Aesar A15791
      115 °C SynQuest 59286, 2607-1-X1
      230 °C LabNetwork LN00196900

    • Experimental Gravity:

      1.071 g/mL Alfa Aesar A15791
      1.073 g/mL SynQuest 2607-1-X1

    • Experimental Refraction Index:

      1.579 Alfa Aesar A15791
      1.578-1.583 Food and Agriculture Organization of the United Nations 1,1′-Oxybis-benzene
      1.58 SynQuest 59286, 2607-1-X1

    • Experimental Solubility:

      -3.96 Egon Willighagen http://dx.doi.org/10.1021/ci050282s
      Insoluble NIOSH KN8970000
  • Miscellaneous

    • Appearance:

      Colorless, crystalline solid or liquid (above 82F) with a geranium-like odor. NIOSH KN8970000
      colourless long crystalline needles or colourless oily liquid, Harsh floral-green, metallic geranium type aroma Food and Agriculture Organization of the United Nations 1,1′-Oxybis-benzene
      off-white solid Oxford University Chemical Safety Data (No longer updated) More details

    • Stability:

      Combustible. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details

    • Toxicity:

      ORL-RAT LD50 3370 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details

    • Safety:

      26-57-60 Alfa Aesar A15791
      36-51/53 Alfa Aesar A15791
      9 Alfa Aesar A15791
      H319-H411 Alfa Aesar A15791
      Irritant/Corrosive SynQuest 2607-1-X1, 59286
      P280-P273-P264-P305+P351+P338-P337+P313-P501a Alfa Aesar A15791
      Safety glasses. Oxford University Chemical Safety Data (No longer updated) More details
      Warning Alfa Aesar A15791
      WARNING: Irritates lungs, eyes, skin Alfa Aesar A15791
      Xi,N Abblis Chemicals AB1002336

    • First-Aid:

      Eye: Irrigate immediately Skin: Soap wash promptly Breathing: Respiratory support NIOSH KN8970000

    • Exposure Routes:

      inhalation, skin and/or eye contact NIOSH KN8970000

    • Symptoms:

      Irritation eyes, nose, skin; nausea NIOSH KN8970000

    • Target Organs:

      Eyes, skin, respiratory system NIOSH KN8970000
      Intermediates TargetMol T0621

    • Incompatibility:

      Strong oxidizers NIOSH KN8970000

    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: No recommendation NIOSH KN8970000

    • Exposure Limits:

      NIOSH REL : TWA 1 ppm (7 mg/m 3 ) OSHA PEL : TWA 1 ppm (7 mg/m 3 ) NIOSH KN8970000

    • Bio Activity:

      Others TargetMol T0621
  • Gas Chromatography

    • Retention Index (Kovats):

      1443 (estimated with error: 68) NIST Spectra mainlib_6610, replib_63205, replib_22010, replib_249721
      1389.9 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.35 mm; Column length: 40 m; Column type: Capillary; Start T: 100 C; CAS no: 101848; Active phase: SE-30; Phase thickness: 0.35 um; Data type: Kovats RI; Authors: Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 779, 1997, 287-297.) NIST Spectra nist ri
      1378 (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: 101848; Active phase: OV-101; Carrier gas: N2; Data type: Kovats RI; Authors: Yamaguchi, K.; Shibamoto, T., Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita), J. Agric. Food Chem., 29, 1981, 366-370.) NIST Spectra nist ri
      1380 (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: 101848; Active phase: OV-101; Carrier gas: N2; Data type: Kovats RI; Authors: Yamaguchi, K.; Shibamoto, T., Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita), J. Agric. Food Chem., 29, 1981, 366-370.) NIST Spectra nist ri
      1958 (Program type: Ramp; Column cl… (show more) ass: Standard 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: 101848; Active phase: Carbowax 20M; Carrier gas: N2; Data type: Kovats RI; Authors: Yamaguchi, K.; Shibamoto, T., Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita), J. Agric. Food Chem., 29, 1981, 366-370.) NIST Spectra nist ri
      1965 (Program type: Ramp; Column cl… (show more) ass: Standard 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: 101848; Active phase: Carbowax 20M; Carrier gas: N2; Data type: Kovats RI; Authors: Yamaguchi, K.; Shibamoto, T., Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita), J. Agric. Food Chem., 29, 1981, 366-370.) NIST Spectra nist ri

    • Retention Index (Lee):

      241.16 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.22 mm; Column length: 25 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 300 C; CAS no: 101848; Active phase: OV-101; Carrier gas: H2; Data type: Lee RI; Authors: Blanco, C.G.; Blanco, J.; Bermejo, J.; Guillen, M.D., Capillary gas chromatography of some polycyclic aromatic compounds on several stationary phases, J. Chromatogr., 465, 1989, 378-385.) NIST Spectra nist ri
      241.7 (Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column diameter: 0.30 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 200 C; End time: 15 min; Start time: 5 min; CAS no: 101848; Active phase: HP-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Wang, G.; Hou, Z.; Sun, Y.; Liu, Y.; Xie, B.; Liu, S., Investigation of pyrolysis behavior of fenoxycarb using PY-GC-MS assisted with chemometric methods, Chem. Anal., 52, 2007, 141-156.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      1372 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 12 m; Column type: Capillary; Heat rate: 16 K/min; Start T: 40 C; Start time: 0.395 min; CAS no: 101848; Active phase: HP-1; Phase thickness: 0.33 um; Data type: Normal alkane RI; Authors: Yin, H.F.; Sun, Y.L., The achievement of reproducible temperature programmed retention indices in gas chromatography when using different columns and detectors, Chromatographia, 29(1/2), 1990, 39-43., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 40 C; End T: 250 C; End time: 4 min; Start time: 1 min; CAS no: 101848; Active phase: DB-1 MS; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Seo, S.-M.; Kim, J.; Lee, S.-G.; Shin, C.-H.; Shin, S.-C.; Park, I.-K., Fumigant antitermitic activity of plant essential oils and components from Aiowan (Trachyspermum ammi), Allspice (Pimenta dioica), Caraway (Carum carvi), Dill (Anethum graveolens), Geranium (Pelargonium graveolens), and Litsea (Litsea cubeba( oils against Japanese termite (Reticulitermes speratus Kolbe), J. Agric. Food Chem., 57(15), 2009, 6596-6602.) NIST Spectra nist ri
      1386 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.22 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 80 C; End T: 200 C; CAS no: 101848; Active phase: OV-101; Data type: Normal alkane RI; Authors: Egolf, L.M.; Jurs, P.C., Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds, Anal. Chem., 65, 1993, 3119-3126., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 101848; Active phase: SE-30; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri
      1392.8 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 20 K/min; Start T: 50 C; End T: 250 C; Start time: 1 min; CAS no: 101848; Active phase: HP-1; Carrier gas: He; Data type: Normal alkane RI; Authors: Katritzky, A.R.; Ignatchenko, E.S.; Barcock, R.A.; Lobanov, V.S.; Karelson, M., Prediction of gas chromatographic retention times and response factors using a general quantitative structure — property relationship treatment, Anal. Chem., 66, 1994, 1799-1807.) NIST Spectra nist ri
      1379 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 101848; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Contemporary State of Informational Maintenance for Gas Chromatographic Identification of Chlorinated Polycyclic Aromatic Compounds, Zh. Ecol. Khim., 3(2), 1994, 111-119, In original 39-48.) NIST Spectra nist ri
      1364 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 80 C; End T: 260 C; CAS no: 101848; Active phase: Ultra-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1(2), 1991, 333-358.) NIST Spectra nist ri
      1356.9 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 12 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; Start time: 0.4 min; CAS no: 101848; Active phase: HP-1; Phase thickness: 0.33 um; Data type: Normal alkane RI; Authors: Yin, H.F.; Sun, Y.L., The achievement of reproducible temperature programmed retention indices in gas chromatography when using different columns and detectors, Chromatographia, 29(1/2), 1990, 39-43.) NIST Spectra nist ri
      1371.8 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 8 K/min; Start T: 40 C; Start time: 0.8 min; CAS no: 101848; Active phase: HP-1; Phase thickness: 0.52 um; Data type: Normal alkane RI; Authors: Yin, H.F.; Sun, Y.L., The achievement of reproducible temperature programmed retention indices in gas chromatography when using different columns and detectors, Chromatographia, 29(1/2), 1990, 39-43.) NIST Spectra nist ri
      1372.6 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 12 m; Column type: Capillary; Heat rate: 8 K/min; Start T: 40 C; Start time: 0.801 min; CAS no: 101848; Active phase: HP-1; Phase thickness: 0.33 um; Data type: Normal alkane RI; Authors: Yin, H.F.; Sun, Y.L., The achievement of reproducible temperature programmed retention indices in gas chromatography when using different columns and detectors, Chromatographia, 29(1/2), 1990, 39-43.) NIST Spectra nist ri
      1376.2 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 50 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 40 C; Start time: 3.194 min; CAS no: 101848; Active phase: HP-1; Phase thickness: 0.11 um; Data type: Normal alkane RI; Authors: Yin, H.F.; Sun, Y.L., The achievement of reproducible temperature programmed retention indices in gas chromatography when using different columns and detectors, Chromatographia, 29(1/2), 1990, 39-43.) NIST Spectra nist ri
      1396 (Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 280 C; End time: 2 min; Start time: 0.5 min; CAS no: 101848; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Ozel, M.Z.; Gogus, F.; Lewis, A.C., Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS, Anal. Chim. Acta., 566, 2006, 172-177.) NIST Spectra nist ri
      2026 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 40 C; End T: 250 C; End time: 4 min; Start time: 1 min; CAS no: 101848; Active phase: Innowax; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Seo, S.-M.; Kim, J.; Lee, S.-G.; Shin, C.-H.; Shin, S.-C.; Park, I.-K., Fumigant antitermitic activity of plant essential oils and components from Aiowan (Trachyspermum ammi), Allspice (Pimenta dioica), Caraway (Carum carvi), Dill (Anethum graveolens), Geranium (Pelargonium graveolens), and Litsea (Litsea cubeba( oils against Japanese termite (Reticulitermes speratus Kolbe), J. Agric. Food Chem., 57(15), 2009, 6596-6602.) NIST Spectra nist ri
      1991 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.2 mm; Column length: 80 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 70 C; End T: 170 C; CAS no: 101848; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Egolf, L.M.; Jurs, P.C., Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds, Anal. Chem., 65, 1993, 3119-3126., Program type: Ramp; Column cl… (show more) ass: Standard polar; Column type: Capillary; CAS no: 101848; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri

    • Retention Index (Linear):

      1376.3 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 8 K/min; Start T: 35 C; End T: 300 C; CAS no: 101848; Active phase: OV-1; Data type: Linear RI; Authors: Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 43(3/4), 1996, 163-176.) NIST Spectra nist ri
      1366.8 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 50 C; End T: 300 C; CAS no: 101848; Active phase: DB-1; Data type: Linear RI; Authors: Chang, L.P.; Sheng, L.S.; Yang, M.Z.; An, D.K., Retention index of essential oil in temperature-programmed capillary column gas chromatography, Acta Pharm. Sin., 24(11), 1989, 847-852.) NIST Spectra nist ri
      1370 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 50 C; End T: 300 C; CAS no: 101848; Active phase: DB-1; Data type: Linear RI; Authors: Chang, L.P.; Sheng, L.S.; Yang, M.Z.; An, D.K., Retention index of essential oil in temperature-programmed capillary column gas chromatography, Acta Pharm. Sin., 24(11), 1989, 847-852.) NIST Spectra nist ri
      1366.4 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.26 mm; Column length: 26 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 60 C; End T: 240 C; CAS no: 101848; Active phase: OV-101; Phase thickness: 0.3 um; Data type: Linear RI; Authors: Wang, T.; Sun, Y., On the influence of the solute sample size on temperature-programmed retention indices, J. Hi. Res. Chromatogr. ; Chromatogr. Comm., 10, 1987, 603-606.) NIST Spectra nist ri
      1370.9 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.26 mm; Column length: 26 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 100 C; End T: 240 C; CAS no: 101848; Active phase: OV-101; Phase thickness: 0.3 um; Data type: Linear RI; Authors: Wang, T.; Sun, Y., On the influence of the solute sample size on temperature-programmed retention indices, J. Hi. Res. Chromatogr. ; Chromatogr. Comm., 10, 1987, 603-606.) NIST Spectra nist ri
      1381.7 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.26 mm; Column length: 26 m; Column type: Capillary; Heat rate: 8 K/min; Start T: 60 C; End T: 240 C; CAS no: 101848; Active phase: OV-101; Phase thickness: 0.3 um; Data type: Linear RI; Authors: Wang, T.; Sun, Y., On the influence of the solute sample size on temperature-programmed retention indices, J. Hi. Res. Chromatogr. ; Chromatogr. Comm., 10, 1987, 603-606.) NIST Spectra nist ri
      1393.7 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.27 mm; Column length: 21.5 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 60 C; End T: 240 C; CAS no: 101848; Active phase: OV-101; Phase thickness: 2 um; Data type: Linear RI; Authors: Wang, T.; Sun, Y., On the influence of the solute sample size on temperature-programmed retention indices, J. Hi. Res. Chromatogr. ; Chromatogr. Comm., 10, 1987, 603-606.) NIST Spectra nist ri
      1380.1 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 26.5 m; Column type: Capillary; Heat rate: 9 K/min; Start T: 70 C; End T: 240 C; Start time: 4.08 min; CAS no: 101848; Active phase: OV-101; Phase thickness: 0.14 um; Data type: Linear RI; Authors: Wang, T.; Sun, Y., Reproducibility of Temperature-Programmed Retention Indices on Several OV-101 Columns, J. Chromatogr., 407, 1987, 79-86.) NIST Spectra nist ri
      1384.6 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.26 mm; Column length: 24 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 80 C; End T: 240 C; CAS no: 101848; Active phase: OV-101; Phase thickness: 0.5 um; Data type: Linear RI; Authors: Wang, T.; Zhong, B.; Chen, M.; Sun, Y., Definitions and Methods of Calculation of the Temperature-Programmed Retention Index, ITP. III. A Simplified Calculation Method Based on the Extended Kovats Definition, J. Chromatogr., 390, 1987, 275-283.) NIST Spectra nist ri
      1396 (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: 4 K/min; Start T: 60 C; End T: 250 C; End time: 20 min; Start time: 2 min; CAS no: 101848; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Pino, J.A.; Mesa, J.; Munoz, Y.; Marti, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 53, 2005, 2213-2223.) NIST Spectra nist ri
      2017 (Program type: Complex; Column… (show more) class: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Description: 45C(5min) =;10C/min =;80C =;2C/min =;240C; CAS no: 101848; Active phase: CP-Wax 52CB; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Condurso, C.; Verzera, A.; Romeo, V.; Ziino, M.; Trozzi, A.; Ragusa, S., The leaf volatile constituents of Isatis tinctoria by solid-phase microextraction and gas chromatography/mass spectrometry, Planta Medica, 72, 2006, 924-928., Program type: Complex; Column… (show more) class: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Description: 45C(5min) =;10C/min =;80C =;2C/min =;240C; CAS no: 101848; Active phase: CP-Wax 52CB; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Romeo, V.; Ziino, M.; Giuffrrida, D.; Condurso, C.; Verzera, A., Flavour profile of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC?MS, Food Chem., 101, 2007, 1272-1278.) NIST Spectra nist ri

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

Density: 1.1±0.1 g/cm3
Boiling Point: 258.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±3.0 kJ/mol
Flash Point: 99.3±14.4 °C
Index of Refraction: 1.573
Molar Refractivity: 52.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0

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ACD/LogD (pH 5.5): 4.03
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