ChemSpider 2D Image | 7-methylbenzofuran | C9H8O

7-methylbenzofuran

  • Molecular FormulaC9H8O
  • Average mass132.159 Da
  • Monoisotopic mass132.057510 Da
  • ChemSpider ID21160526

More details:






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

17059-52-8 [RN]
241-123-1 [EINECS]
7-Methyl-1-benzofuran [ACD/IUPAC Name]
7-Methyl-1-benzofuran [German] [ACD/IUPAC Name]
7-Méthyl-1-benzofurane [French] [ACD/IUPAC Name]
7-methylbenzofuran
Benzofuran, 7-methyl- [ACD/Index Name]
"BENZOFURAN, 7-METHYL-"
7-Methylbenzo[b]furan
7-methyl-benzofuran
More...

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

GZ7272436A [DBID]
UNII:GZ7272436A [DBID]
UNII-GZ7272436A [DBID]
ZINC02013346 [DBID]
  • Experimental Physico-chemical Properties
  • Gas Chromatography
    • Retention Index (Kovats):

      1131 (estimated with error: 68) NIST Spectra mainlib_30268
    • Retention Index (Lee):

      181.8 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.30 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: 17059528; Active phase: HP-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Wang, G.; Hou, Z.; Sun, Y.; Liu, Y.; Xie, B.; Liu, S., Investigation of pyrolysis behavior of fenoxycarb using PY-GC-MS assisted with chemometric methods, Chem. Anal., 52, 2007, 141-156.) NIST Spectra nist ri
      182.1 (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: 17059528; 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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 192.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.1±3.0 kJ/mol
Flash Point: 68.3±5.5 °C
Index of Refraction: 1.587
Molar Refractivity: 41.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.03
ACD/KOC (pH 5.5): 858.20
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 88.03
ACD/KOC (pH 7.4): 858.20
Polar Surface Area: 13 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 122.6±3.0 cm3

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