ChemSpider 2D Image | Ethyl 3,4,5-trimethoxybenzoylformate | C13H16O6

Ethyl 3,4,5-trimethoxybenzoylformate

  • Molecular FormulaC13H16O6
  • Average mass268.263 Da
  • Monoisotopic mass268.094696 Da
  • ChemSpider ID21396786

More details:

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

Benzeneacetic acid, 3,4,5-trimethoxy-α-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3,4,5-trimethoxybenzoylformate
Ethyl oxo(3,4,5-trimethoxyphenyl)acetate [ACD/IUPAC Name]
Ethyl-oxo(3,4,5-trimethoxyphenyl)acetat [German] [ACD/IUPAC Name]
MFCD09801442 [MDL number]
Oxo(3,4,5-triméthoxyphényl)acétate d'éthyle [French] [ACD/IUPAC Name]
[14655-36-8] [RN]
14655-36-8 [RN]
ethyl 2-oxo-2-(3,4,5-trimethoxyphenyl)acetate
oxo-(3,4,5-trimethoxyphenyl)acetic acid ethyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 394.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 174.8±27.9 °C
Index of Refraction: 1.499
Molar Refractivity: 67.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.65
ACD/KOC (pH 5.5): 226.02
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.65
ACD/KOC (pH 7.4): 226.02
Polar Surface Area: 71 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 229.5±3.0 cm3

Click to predict properties on the Chemicalize site


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