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Home Page Flashcards 2-(Chloroethyl)benzene C8H9Cl structure - Flashcards

2-(Chloroethyl)benzene C8H9Cl structure – Flashcards

Flashcard maker : Patricia Smith

C8H9Cl structure
Molecular Formula C8H9Cl
Average mass 140.610 Da
Density 1.1±0.1 g/cm3
Boiling Point 198.2±9.0 °C at 760 mmHg
Flash Point 66.7±0.0 °C
Molar Refractivity 40.7±0.3 cm3
Polarizability 16.1±0.5 10-24cm3
Surface Tension 33.8±3.0 dyne/cm
Molar Volume 133.6±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      -60 °C Alfa Aesar
      -60 °C Alfa Aesar L04891

    • Experimental Boiling Point:

      82-84 deg C / 16 mm (211.5433-214.2054 °C / 760 mmHg)
      Alfa Aesar
      82-84 deg C / 16 mmHg (211.5433-214.2054 °C / 760 mmHg)
      Manchester Organics S21896
      82-84 °C / 16 mm (211.5433-214.2054 °C / 760 mmHg)
      Alfa Aesar L04891

    • Experimental Flash Point:

      66 °C Alfa Aesar
      66 °C Alfa Aesar
      66 °F (18.8889 °C)
      Alfa Aesar L04891
      152 °C LabNetwork LN00225347

    • Experimental Gravity:

      20 g/mL Merck Millipore 1155
      20 g/l Merck Millipore 1155, 807511
      1.07 g/mL Alfa Aesar L04891

    • Experimental Refraction Index:

      1.53 Alfa Aesar L04891
  • Miscellaneous

    • Appearance:

      Not Available Novochemy
      [NC-29468]

    • Safety:

      20/21/22 Novochemy
      [NC-29468]
      20/21/36/37/39 Novochemy
      [NC-29468]
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar L04891
      GHS07; GHS09 Novochemy
      [NC-29468]
      H332; H403 Novochemy
      [NC-29468]
      P332+P313; P305+P351+P338 Novochemy
      [NC-29468]
      R22 Novochemy
      [NC-29468]
      Warning Novochemy
      [NC-29468]
  • Gas Chromatography

    • Retention Index (Kovats):

      1118 (estimated with error: 72) NIST Spectra mainlib_134094, replib_113217, replib_221960, replib_380041

    • Retention Index (Lee):

      167.2 (Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; CAS no: 622242; Active phase: DB-5MS; Data type: Lee RI; Authors: Aracil, I.; Font, R.; Conesa, J.A., Semivolatile and volatile compounds from the pyrolysis and combustion of polyvinyl chloride, J. Anal. Appl. Pyrolysis, 74, 2005, 465-478.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      1090 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 60 C; End T: 240 C; CAS no: 622242; Active phase: OV-101; Carrier gas: N2; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Interpretation of Gas Chromatographic Retention Indices in estimation of Structures of Isomeric Products of Radical Chlorinating of Alkyl Arenes, Zh. Org. Khim., 37(2), 2001, 283-293, In original 283-293.) NIST Spectra nist ri
      1076 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 622242; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Mutual Correlation between Gas-Chromatographic Retention Indices of Organic Compounds from Different Series, Zh. Anal. Khim., 54(12), 1999, 1272-1279, In original 1272-1279., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 622242; Active phase: Polydimethyl siloxanes; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 32(5), 1996, 656-666, In original 656-666.) NIST Spectra nist ri

    • Retention Index (Linear):

      1082.6 (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: 622242; 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
      1081 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 100 m; Column type: Capillary; Heat rate: 1 K/min; Start T: 30 C; End T: 220 C; CAS no: 622242; Active phase: Petrocol DH; Carrier gas: He; Phase thickness: 0.5 um; Data type: Linear RI; Authors: White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S., Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane, J. Hi. Res. Chromatogr., 15, 1992, 105-120.) NIST Spectra nist ri
      1593 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 35 C; End T: 195 C; End time: 90 min; Start time: 5 min; CAS no: 622242; Active phase: Supelcowax-10; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Chung, H.Y., Volatile components in fermented soybean (Glycine max) curds, J. Agric. Food Chem., 47, 1999, 2690-2696.) 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: 198.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.7±3.0 kJ/mol
Flash Point: 66.7±0.0 °C
Index of Refraction: 1.520
Molar Refractivity: 40.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 136.76
ACD/KOC (pH 5.5): 1176.33
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 136.76
ACD/KOC (pH 7.4): 1176.33
Polar Surface Area: 0 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 133.6±3.0 cm3

Click to predict properties on the Chemicalize site

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