ChemSpider 2D Image | 2,4-Dimethylbenzyl chloride | C9H11Cl

2,4-Dimethylbenzyl chloride

  • Molecular FormulaC9H11Cl
  • Average mass154.637 Da
  • Monoisotopic mass154.054932 Da
  • ChemSpider ID21171742

More details:

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

1-(Chlormethyl)-2,4-dimethylbenzol [German] [ACD/IUPAC Name]
1-(Chloromethyl)-2,4-dimethylbenzene [ACD/IUPAC Name]
1-(Chlorométhyl)-2,4-diméthylbenzène [French] [ACD/IUPAC Name]
1-Chloromethyl-2,4-dimethyl-benzene
2,4-Dimethylbenzyl chloride
824-55-5 [RN]
Benzene, 1-(chloromethyl)-2,4-dimethyl- [ACD/Index Name]
[824-55-5] [RN]
1-(Chloromethyl)-2,4-DiMethyl-Benzene
1-(chloromethyl)-2,4-dimethylbenzene (en)
More...

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

MFCD00015556 [DBID]
e2 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      1245 (estimated with error: 72) NIST Spectra mainlib_341915, replib_186726

    • Retention Index (Normal Alkane):

      1207 (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: 6 K/min; Start T: 60 C; End T: 240 C; CAS no: 824555; Active phase: OV-101; Carrier gas: N2; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Makarov, A.A., Identification of Alkylarene Chloromethylation Products Using Gas-Chromatographic Retention Indices, Russian Journal of General Chemistry, 77(4), 2007, 611-619, In original 653-662.) NIST Spectra nist ri
      1208 (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: 824555; 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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 215.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.3±3.0 kJ/mol
Flash Point: 86.5±11.4 °C
Index of Refraction: 1.522
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 560.64
ACD/KOC (pH 5.5): 3229.33
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 560.64
ACD/KOC (pH 7.4): 3229.33
Polar Surface Area: 0 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 149.7±3.0 cm3

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