ChemSpider 2D Image | m-Xylyl chloride | C8H9Cl

m-Xylyl chloride

  • Molecular FormulaC8H9Cl
  • Average mass140.610 Da
  • Monoisotopic mass140.039276 Da
  • ChemSpider ID21111851

More details:

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

1-(Chlormethyl)-3-methylbenzol [German] [ACD/IUPAC Name]
1-(Chloromethyl)-3-methylbenzene [ACD/IUPAC Name]
1-(Chlorométhyl)-3-méthylbenzène [French] [ACD/IUPAC Name]
210-628-9 [EINECS]
3-Methylbenzyl chloride
3-Methyl-benzyl chloride
620-19-9 [RN]
Benzene, 1-(chloromethyl)-3-methyl- [ACD/Index Name]
m-Xylyl chloride
α-Chloro-m-xylene
More...

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

771291VTT8 [DBID]
MFCD00000909 [DBID]
C73354_ALDRICH [DBID]
ghl.PDMitscherleg0.1073 [DBID]
NSC 76592 [DBID]
NSC76592 [DBID]
UNII:771291VTT8 [DBID]
UNII-771291VTT8 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      1132 (estimated with error: 72) NIST Spectra mainlib_125128, replib_3726, replib_107672, replib_118494

    • Retention Index (Normal Alkane):

      1098 (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: 620199; 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
      1082 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 620199; 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.) NIST Spectra nist ri

    • Retention Index (Linear):

      1089.3 (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: 620199; 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: 1.1±0.1 g/cm3
Boiling Point: 197.9±9.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.6±3.0 kJ/mol
Flash Point: 75.6±0.0 °C
Index of Refraction: 1.524
Molar Refractivity: 40.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.73
ACD/KOC (pH 5.5): 897.61
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.73
ACD/KOC (pH 7.4): 897.61
Polar Surface Area: 0 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 33.2±3.0 dyne/cm
Molar Volume: 133.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement