ChemSpider 2D Image | MFCD00043466 | C8H8Cl2

MFCD00043466

  • Molecular FormulaC8H8Cl2
  • Average mass175.055 Da
  • Monoisotopic mass174.000305 Da
  • ChemSpider ID21171790

More details:

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

(1,2-Dichlorethyl)benzol [German] [ACD/IUPAC Name]
(1,2-dichloroethyl)benzene [ACD/IUPAC Name]
(1,2-Dichloroéthyl)benzène [French] [ACD/IUPAC Name]
1,2-Dichloro-1-phenylethane
1074-11-9 [RN]
214-035-6 [EINECS]
Benzene, (1,2-dichloroethyl)- [ACD/Index Name]
MFCD00043466
"(1,2-DICHLOROETHYL)BENZENE"
1321593-65-0 [RN]
More...

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

  • Gas Chromatography

    • Retention Index (Kovats):

      1259 (estimated with error: 72) NIST Spectra mainlib_241572, replib_135205, replib_22130

    • Retention Index (Normal Alkane):

      1249 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 1074119; Active phase: Polydimethyl siloxanes; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N., Application of Retention Indices in GC-MS Identification of Halogenated Organic Compounds, Mass Spectromery (Rus.), 3(2), 2006, 131-140, In original 131-140.) NIST Spectra nist ri
      1904.9 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 50 C; End T: 220 C; End time: 50 min; Start time: 3 min; CAS no: 1074119; Active phase: DB-Wax; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Lu, X.; Cai, J.; Kong, H.; Wu, M.; Hua, R.; Zhao, M.; Liu, J.; Xu, G., Analysis of cigarette smoke condensates by comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry. I. Acidic fraction, Anal. Chem., 75(17), 2003, 4441-4451.) 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: 235.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.3±3.0 kJ/mol
Flash Point: 106.0±15.1 °C
Index of Refraction: 1.537
Molar Refractivity: 45.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.47
ACD/KOC (pH 5.5): 1074.23
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.47
ACD/KOC (pH 7.4): 1074.23
Polar Surface Area: 0 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 145.8±3.0 cm3

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