ChemSpider 2D Image | 1-Chloro-2-ethylbenzene | C8H9Cl

1-Chloro-2-ethylbenzene

  • Molecular FormulaC8H9Cl
  • Average mass140.610 Da
  • Monoisotopic mass140.039276 Da
  • ChemSpider ID21111805

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Chloro-2-ethylbenzene [ACD/IUPAC Name]
1-Chlor-2-ethylbenzol [German] [ACD/IUPAC Name]
1-Chloro-2-éthylbenzène [French] [ACD/IUPAC Name]
89-96-3 [RN]
Benzene, 1-chloro-2-ethyl- [ACD/Index Name]
o-Chloroethylbenzene
"BENZENE, 1-CHLORO-2-ETHYL-"|1-CHLORO-2-ETHYLBENZENE
(2-Chlorophenyl)acetonitrile [ACD/IUPAC Name]
[89-96-3] [RN]
1331-31-3 [RN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00039357 [DBID]
MFCD00060271 [DBID]
  • Experimental Physico-chemical Properties
  • Gas Chromatography

    • Retention Index (Kovats):

      1073 (estimated with error: 72) NIST Spectra mainlib_3722, replib_21162
      1038 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column type: Packed; Start T: 140 C; CAS no: 89963; Active phase: E-301; Data type: Kovats RI; Authors: Skobeleva, V.D.; Shevchenko, N.A., Characteristics of gas-chromatographic separation and dissolution of chloroethylbenzenes in standard liquid phases, Zh. Anal. Khim., 31, 1976, 1551-1554.) NIST Spectra nist ri
      1050 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 89963; Active phase: E-301; Data type: Kovats RI; Authors: Skobeleva, V.D.; Shevchenko, N.A., Characteristics of gas-chromatographic separation and dissolution of chloroethylbenzenes in standard liquid phases, Zh. Anal. Khim., 31, 1976, 1551-1554.) NIST Spectra nist ri
      1429 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column length: 2 m; Column type: Packed; Start T: 200 C; CAS no: 89963; Active phase: Carbowax 20M; Carrier gas: He; Substrate: Silanized white support; Data type: Kovats RI; Authors: Vernon, F.; Suratman, J.B., The retention index system applied to alkylbenzenes and monosubstituted derivatives, Chromatographia, 17(11), 1983, 600-604.) NIST Spectra nist ri
      1439 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column length: 4 m; Column type: Packed; Start T: 150 C; CAS no: 89963; Active phase: PEG-20M; Substrate: Chromaton N AW DMCS; Data type: Kovats RI; Authors: Skobeleva, V.D.; Shevchenko, N.A., Characteristics of gas-chromatographic separation and dissolution of chloroethylbenzenes in standard liquid phases, Zh. Anal. Khim., 31, 1976, 1551-1554.) NIST Spectra nist ri
      1470 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column length: 4 m; Column type: Packed; Start T: 170 C; CAS no: 89963; Active phase: PEG-20M; Substrate: Chromaton N AW DMCS; Data type: Kovats RI; Authors: Skobeleva, V.D.; Shevchenko, N.A., Characteristics of gas-chromatographic separation and dissolution of chloroethylbenzenes in standard liquid phases, Zh. Anal. Khim., 31, 1976, 1551-1554.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      1016 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 89963; 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):

      1019.5 (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: 89963; 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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 178.4±0.0 °C at 760 mmHg
Vapour Pressure: 1.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.8±3.0 kJ/mol
Flash Point: 60.0±5.9 °C
Index of Refraction: 1.518
Molar Refractivity: 40.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 299.29
ACD/KOC (pH 5.5): 2060.57
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 299.29
ACD/KOC (pH 7.4): 2060.57
Polar Surface Area: 0 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 32.2±3.0 dyne/cm
Molar Volume: 134.2±3.0 cm3

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