ChemSpider 2D Image | 3,4-Dihydroxyphenyl 3,4,5-trimethoxybenzoate | C16H16O7

3,4-Dihydroxyphenyl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC16H16O7
  • Average mass320.294 Da
  • Monoisotopic mass320.089600 Da
  • ChemSpider ID21119548

More details:

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

3,4,5-Triméthoxybenzoate de 3,4-dihydroxyphényle [French] [ACD/IUPAC Name]
3,4-Dihydroxyphenyl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
3,4-Dihydroxyphenyl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 3,4-dihydroxyphenyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 477.4±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 174.3±20.3 °C
Index of Refraction: 1.591
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.12
ACD/KOC (pH 5.5): 444.41
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.08
ACD/KOC (pH 7.4): 418.60
Polar Surface Area: 94 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 241.7±3.0 cm3

Click to predict properties on the Chemicalize site


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