ChemSpider 2D Image | 3,4-Dichlorotoluene | C7H6Cl2

3,4-Dichlorotoluene

  • Molecular FormulaC7H6Cl2
  • Average mass161.029 Da
  • Monoisotopic mass159.984650 Da
  • ChemSpider ID21106517

More details:

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

3,4-Dichlorotoluene
1,2-Dichlor-4-methylbenzol [German] [ACD/IUPAC Name]
1,2-Dichloro-4-methylbenzene [ACD/IUPAC Name]
1,2-Dichloro-4-méthylbenzène [French] [ACD/IUPAC Name]
202-447-9 [EINECS]
95-75-0 [RN]
Benzene, 1,2-dichloro-4-methyl- [ACD/Index Name]
Dichlorotoluene
MFCD00000556 [MDL number]
[95-75-0] [RN]
More...

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

161365_ALDRICH [DBID]
36560_FLUKA [DBID]
45975_RIEDEL [DBID]
AI3-02581 [DBID]
CCRIS 4693 [DBID]
NSC 8765 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      1153 (estimated with error: 72) NIST Spectra mainlib_229382, replib_155026, replib_107359

    • Retention Index (Normal Alkane):

      1176.5 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 1.8 m; Column type: Packed; CAS no: 95750; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb W HP; Data type: Normal alkane RI; Authors: Yurawecz, M.P.; Puma, B.J., Gas chromatographic determination of electron capture sensitive volatile industrial chemical residues in foods, using AOAC pesticide multiresidue extraction and cleanup procedures, J. Ass. Offic. Anal. Chem, 69(1), 1986, 80-86.) NIST Spectra nist ri
      1139 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Start T: 100 C; CAS no: 95750; Active phase: E-301; Carrier gas: N2; Data type: Normal alkane RI; Authors: Bermejo, J.; Moinelo, S.R.; Suarez Canga, C., Calculo de indices de retencion a patir de DI y de la polaridad de la fase, Calculo de indices de retencion a patir de DI y de la polaridad de la fase, Instituto Nacional del Carbon y sus Derivados "Francisco Pintado Fe" (INCAR), La Corredoria, Oviedo, Espana, 1980, 13.) NIST Spectra nist ri
      1125 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Start T: 100 C; CAS no: 95750; Active phase: Squalane; Carrier gas: N2; Data type: Normal alkane RI; Authors: Bermejo, J.; Moinelo, S.R.; Suarez Canga, C., Calculo de indices de retencion a patir de DI y de la polaridad de la fase, Calculo de indices de retencion a patir de DI y de la polaridad de la fase, Instituto Nacional del Carbon y sus Derivados "Francisco Pintado Fe" (INCAR), La Corredoria, Oviedo, Espana, 1980, 13.) NIST Spectra nist ri

    • Retention Index (Linear):

      1126.3 (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: 95750; 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: 1.2±0.1 g/cm3
Boiling Point: 208.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.7±3.0 kJ/mol
Flash Point: 85.6±0.0 °C
Index of Refraction: 1.543
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 614.30
ACD/KOC (pH 5.5): 3447.66
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 614.30
ACD/KOC (pH 7.4): 3447.66
Polar Surface Area: 0 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 129.6±3.0 cm3

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