ChemSpider 2D Image | 2',3',4'-TRIMETHOXYACETOPHENONE | C11H14O4

2',3',4'-TRIMETHOXYACETOPHENONE

  • Molecular FormulaC11H14O4
  • Average mass210.227 Da
  • Monoisotopic mass210.089203 Da
  • ChemSpider ID21106530

More details:

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

1-(2,3,4-Trimethoxyphenyl)ethanon [German] [ACD/IUPAC Name]
1-(2,3,4-Trimethoxyphenyl)ethanone [ACD/IUPAC Name]
1-(2,3,4-Triméthoxyphényl)éthanone [French] [ACD/IUPAC Name]
13909-73-4 [RN]
2',3',4'-TRIMETHOXYACETOPHENONE
237-678-4 [EINECS]
Ethanone, 1-(2,3,4-trimethoxyphenyl)- [ACD/Index Name]
MFCD00008726 [MDL number]
[13909-73-4] [RN]
1-(2,3,4-Trimethoxyphenyl)ethan-1-one
More...

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

F3JC7ZP11A [DBID]
189812_ALDRICH [DBID]
CCRIS 4693 [DBID]
e2 [DBID]
NSC 68811 [DBID]
UNII:F3JC7ZP11A [DBID]
  • Experimental Physico-chemical Properties
  • Gas Chromatography

    • Retention Index (Kovats):

      1596 (estimated with error: 89) NIST Spectra mainlib_238539, replib_80495

    • Retention Index (Linear):

      2239 (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: 230 C; CAS no: 13909734; Active phase: DB-Wax; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y., Comparison of volatile compounds among different grades of green tea and their relations to odor attributes, J. Agric. Food Chem., 43, 1995, 1621-1625.) 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: 296.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.6±3.0 kJ/mol
Flash Point: 133.7±26.5 °C
Index of Refraction: 1.495
Molar Refractivity: 56.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.85
ACD/KOC (pH 5.5): 165.75
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.85
ACD/KOC (pH 7.4): 165.75
Polar Surface Area: 45 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 193.0±3.0 cm3

Click to predict properties on the Chemicalize site


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