ChemSpider 2D Image | 2,3-DIHYDRO-2-METHYLBENZOFURAN | C9H10O

2,3-DIHYDRO-2-METHYLBENZOFURAN

  • Molecular FormulaC9H10O
  • Average mass134.175 Da
  • Monoisotopic mass134.073166 Da
  • ChemSpider ID21159534

More details:

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

1746-11-8 [RN]
2,3-DIHYDRO-2-METHYLBENZOFURAN
217-124-8 [EINECS]
2-Methyl-2,3-dihydro-1-benzofuran [ACD/IUPAC Name]
2-Methyl-2,3-dihydro-1-benzofuran [German] [ACD/IUPAC Name]
2-methyl-2,3-dihydro-1-benzofuran|2,3-DIHYDRO-2-METHYLBENZOFURAN
2-Méthyl-2,3-dihydro-1-benzofurane [French] [ACD/IUPAC Name]
2-Methyl-2,3-dihydrobenzofuran
Benzofuran, 2,3-dihydro-2-methyl- [ACD/Index Name]
MFCD00023003 [MDL number]
More...

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

  • Gas Chromatography

    • Retention Index (Kovats):

      1097 (estimated with error: 68) NIST Spectra mainlib_229237, replib_3181

    • Retention Index (Lee):

      184.6 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.3 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 200 C; End time: 15 min; Start time: 5 min; CAS no: 1746118; Active phase: HP-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Shao, X.; Wang, G.; Sun, Y.; Zhang, R.; Xie, K.; Liu, H., Determination and Characterization of the Pyrolysis Products of Isoprocarb by GC-MS, J. Chromatogr. Sci., 44, 2006, 141-147.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      1306 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 40 C; End T: 280 C; End time: 9 min; Start time: 1 min; CAS no: 1746118; Active phase: ZB-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Harrison, B.M.; Priest, F.G., Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth, J. Agric. Food Chem., 57(6), 2009, 2385-2391.) 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: 197.4±10.0 °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: 65.2±14.7 °C
Index of Refraction: 1.532
Molar Refractivity: 40.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.76
ACD/KOC (pH 5.5): 610.92
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.76
ACD/KOC (pH 7.4): 610.92
Polar Surface Area: 9 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 129.6±3.0 cm3

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