ChemSpider 2D Image | 8-Oxo-8-(2,3,4-trimethoxyphenyl)octanoic acid | C17H24O6

8-Oxo-8-(2,3,4-trimethoxyphenyl)octanoic acid

  • Molecular FormulaC17H24O6
  • Average mass324.369 Da
  • Monoisotopic mass324.157288 Da
  • ChemSpider ID21401922

More details:

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

8-Oxo-8-(2,3,4-trimethoxyphenyl)octanoic acid [ACD/IUPAC Name]
8-Oxo-8-(2,3,4-trimethoxyphenyl)octansäure [German] [ACD/IUPAC Name]
Acide 8-oxo-8-(2,3,4-triméthoxyphényl)octanoïque [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, 2,3,4-trimethoxy-η-oxo- [ACD/Index Name]
8-(2,3,4-TRIMETHOXYPHENYL)-8-OXOOCTANOIC ACID
951892-06-1 [RN]
MFCD09801788 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 495.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 175.3±22.2 °C
Index of Refraction: 1.510
Molar Refractivity: 85.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 6.28
ACD/KOC (pH 5.5): 76.42
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.22
Polar Surface Area: 82 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 286.6±3.0 cm3

Click to predict properties on the Chemicalize site


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