ChemSpider 2D Image | 1-Chloro-3-ethylbenzene | C8H9Cl

1-Chloro-3-ethylbenzene

  • Molecular FormulaC8H9Cl
  • Average mass140.610 Da
  • Monoisotopic mass140.039276 Da
  • ChemSpider ID23346259

More details:

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

1-Chlor-3-ethylbenzol [German] [ACD/IUPAC Name]
1-Chloro-3-ethylbenzene [ACD/IUPAC Name]
1-Chloro-3-éthylbenzène [French] [ACD/IUPAC Name]
620-16-6 [RN]
Benzene, 1-chloro-3-ethyl- [ACD/Index Name]
"BENZENE, 1-CHLORO-3-ETHYL-"
3-Chloro Ethylbenzene
3-Chloro Ethylbenzene (en)
3-chloroethylbenzene
3-chloro-ethylbenzene
More...

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

  • Gas Chromatography

    • Retention Index (Kovats):

      1073 (estimated with error: 72) NIST Spectra mainlib_3723

    • Retention Index (Normal Alkane):

      1036 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 620166; 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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 183.8±0.0 °C at 760 mmHg
Vapour Pressure: 1.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.3±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

Click to predict properties on the Chemicalize site


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