ChemSpider 2D Image | 2-Acetyl-1,4-phenylene bis(3,4,5-trimethoxybenzoate) | C28H28O11

2-Acetyl-1,4-phenylene bis(3,4,5-trimethoxybenzoate)

  • Molecular FormulaC28H28O11
  • Average mass540.515 Da
  • Monoisotopic mass540.163147 Da
  • ChemSpider ID2072189

More details:

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

2-Acetyl-1,4-phenylen-bis(3,4,5-trimethoxybenzoat) [German] [ACD/IUPAC Name]
2-Acetyl-1,4-phenylene bis(3,4,5-trimethoxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 2-acetyl-1,4-phenylene ester [ACD/Index Name]
Bis(3,4,5-triméthoxybenzoate) de 2-acétyl-1,4-phénylène [French] [ACD/IUPAC Name]
2-acetyl-4-(3,4,5-trimethoxyphenylcarbonyloxy)phenyl 3,4,5-trimethoxybenzoate

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

ZINC04291155 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 632.4±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 266.7±31.3 °C
Index of Refraction: 1.560
Molar Refractivity: 139.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 530.09
ACD/KOC (pH 5.5): 3102.35
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 530.09
ACD/KOC (pH 7.4): 3102.35
Polar Surface Area: 125 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 431.8±3.0 cm3

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