ChemSpider 2D Image | Methyl 2,3,3-trichloroacrylate | C4H3Cl3O2

Methyl 2,3,3-trichloroacrylate

  • Molecular FormulaC4H3Cl3O2
  • Average mass189.424 Da
  • Monoisotopic mass187.919861 Da
  • ChemSpider ID21416432

More details:

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

2,3,3-Trichloroacrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2,3,3-trichloro-, methyl ester [ACD/Index Name]
Methyl 2,3,3-trichloroacrylate [ACD/IUPAC Name]
Methyl-2,3,3-trichloracrylat [German] [ACD/IUPAC Name]
17640-12-9 [RN]
2,3,3-Trichloropropenoic acid, methyl ester
Acrylic acid, trichloro-, methyl ester
Methyl 2,3,3-trichloropropenoate
Methyl trichloroacrylate
Methyl trichloropropenoate

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

  • Gas Chromatography

    • Retention Index (Kovats):

      1077 (estimated with error: 89) NIST Spectra mainlib_146756
      1022 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.22 mm; Column length: 25 m; Column type: Capillary; Start T: 80 C; CAS no: 17640129; Active phase: SE-30; Data type: Kovats RI; Authors: Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXIII. Capillary column studies of chlorinated methyl propenoates, J. Chromatogr., 268, 1983, 511-514.) NIST Spectra nist ri
      1023 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.22 mm; Column length: 25 m; Column type: Capillary; Start T: 100 C; CAS no: 17640129; Active phase: SE-30; Data type: Kovats RI; Authors: Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXIII. Capillary column studies of chlorinated methyl propenoates, J. Chromatogr., 268, 1983, 511-514.) NIST Spectra nist ri
      1484 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 80 C; CAS no: 17640129; Active phase: OV-351; Data type: Kovats RI; Authors: Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXIII. Capillary column studies of chlorinated methyl propenoates, J. Chromatogr., 268, 1983, 511-514.) NIST Spectra nist ri
      1500 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 100 C; CAS no: 17640129; Active phase: OV-351; Data type: Kovats RI; Authors: Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXIII. Capillary column studies of chlorinated methyl propenoates, J. Chromatogr., 268, 1983, 511-514.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      1028 (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: 8 K/min; Start T: 50 C; End T: 300 C; End time: 10 min; Start time: 5 min; CAS no: 17640129; Active phase: HP-1; Carrier gas: He; Phase thickness: 0.33 um; Data type: Normal alkane RI; Authors: Peters, R.J.D.; de Leer, E.W.B.; Versteegh, J.F.M., Identification of Halogenated Compounds Produced by Chlorination of Humic Acid in the Presence of Bromide, J. Chromatogr. A, 686, 1994, 253-261., 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: 4 K/min; Start T: 50 C; CAS no: 17640129; Active phase: SE-30; Carrier gas: N2; Data type: Normal alkane RI; Authors: Korhonen, I.O.O., Gas-liquid chromatographic analyses. XV. Gas chromatographic separation of methyl esters of chlorinated propenoic acids on SE-30 and OV-351 quartz capillary columns, J. Chromatogr., 257, 1983, 122-126.) NIST Spectra nist ri
      1022 (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: 80 C; CAS no: 17640129; Active phase: SE-30; Carrier gas: N2; Data type: Normal alkane RI; Authors: Korhonen, I.O.O., Gas-liquid chromatographic analyses. XV. Gas chromatographic separation of methyl esters of chlorinated propenoic acids on SE-30 and OV-351 quartz capillary columns, J. Chromatogr., 257, 1983, 122-126.) NIST Spectra nist ri

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

Density: 1.5±0.1 g/cm3
Boiling Point: 190.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.7±3.0 kJ/mol
Flash Point: 78.0±24.9 °C
Index of Refraction: 1.496
Molar Refractivity: 36.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.18
ACD/KOC (pH 5.5): 436.02
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.18
ACD/KOC (pH 7.4): 436.02
Polar Surface Area: 26 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 125.4±3.0 cm3

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