ChemSpider 2D Image | 4,7-dimethylbenzofuran | C10H10O

4,7-dimethylbenzofuran

  • Molecular FormulaC10H10O
  • Average mass146.186 Da
  • Monoisotopic mass146.073166 Da
  • ChemSpider ID21173254

More details:






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

249-184-6 [EINECS]
28715-26-6 [RN]
4,7-Dimethyl-1-benzofuran [ACD/IUPAC Name]
4,7-Dimethyl-1-benzofuran [German] [ACD/IUPAC Name]
4,7-Diméthyl-1-benzofurane [French] [ACD/IUPAC Name]
4,7-dimethylbenzofuran
Benzofuran, 4,7-dimethyl- [ACD/Index Name]
"4,7-DIMETHYL-1-BENZOFURAN"
"BENZOFURAN, 4,7-DIMETHYL-"
4,7-dimethylbenzo[b]furan
More...

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

VZF5S5L4YY [DBID]
UNII:VZF5S5L4YY [DBID]
UNII-VZF5S5L4YY [DBID]
  • Gas Chromatography
    • Retention Index (Kovats):

      1244 (estimated with error: 68) NIST Spectra mainlib_30285
    • Retention Index (Normal Alkane):

      1214.4 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 40 C; End T: 240 C; CAS no: 28715266; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Moldoveanu, S.C., Pyrolysis GC/MS, present and future (recent past and present needs), J. Microcolumn Sep., 13(3), 2001, 102-125.) NIST Spectra nist ri
    • Retention Index (Linear):

      1220.4 (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: 4 K/min; Start T: 80 C; End T: 300 C; CAS no: 28715266; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D., Comparative analysis of volatile components from Clematis species growing in China, Anal. Chim. Acta., 595, 2007, 328-339.) NIST Spectra nist ri
      1240 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Description: 70C(1min) =>3C/min =>80C(1min) =>5C/min =>150C => 10C/min =>280C (4min); CAS no: 28715266; Active phase: DB-5MS; Carrier gas: He; Phase thickness: 0.5 um; Data type: Linear RI; Authors: Varlet V.; Knockaert C.; Prost C.; Serot T., Comparison of odor-active volatile compounds of fresh and smoked salmon, J. Agric. Food Chem., 54, 2006, 3391-3401.) 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: 218.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.6±3.0 kJ/mol
Flash Point: 84.5±5.5 °C
Index of Refraction: 1.577
Molar Refractivity: 46.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 251.01
ACD/KOC (pH 5.5): 1816.77
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 251.01
ACD/KOC (pH 7.4): 1816.77
Polar Surface Area: 13 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 138.9±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement