ChemSpider 2D Image | Bis(2-methyl-2-propanyl) 4-[(3,5-dimethoxyphenyl)ethynyl]-2,6-dimethyl-3,5-pyridinedicarboxylate | C27H33NO6

Bis(2-methyl-2-propanyl) 4-[(3,5-dimethoxyphenyl)ethynyl]-2,6-dimethyl-3,5-pyridinedicarboxylate

  • Molecular FormulaC27H33NO6
  • Average mass467.554 Da
  • Monoisotopic mass467.230774 Da
  • ChemSpider ID30661395

More details:

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

3,5-Pyridinedicarboxylic acid, 4-[2-(3,5-dimethoxyphenyl)ethynyl]-2,6-dimethyl-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
4-[(3,5-Diméthoxyphényl)éthynyl]-2,6-diméthyl-3,5-pyridinedicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) 4-[(3,5-dimethoxyphenyl)ethynyl]-2,6-dimethyl-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-4-[(3,5-dimethoxyphenyl)ethinyl]-2,6-dimethyl-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 579.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.0±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 128.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 32142.64
ACD/KOC (pH 5.5): 58562.57
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 32176.82
ACD/KOC (pH 7.4): 58624.84
Polar Surface Area: 84 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 402.7±5.0 cm3

Click to predict properties on the Chemicalize site


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