ChemSpider 2D Image | Dimethyl 4-[(4-methoxyphenyl)ethynyl]-2,6-dimethyl-3,5-pyridinedicarboxylate | C20H19NO5

Dimethyl 4-[(4-methoxyphenyl)ethynyl]-2,6-dimethyl-3,5-pyridinedicarboxylate

  • Molecular FormulaC20H19NO5
  • Average mass353.369 Da
  • Monoisotopic mass353.126312 Da
  • ChemSpider ID30661391

More details:

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

3,5-Pyridinedicarboxylic acid, 4-[2-(4-methoxyphenyl)ethynyl]-2,6-dimethyl-, dimethyl ester [ACD/Index Name]
4-[(4-Méthoxyphényl)éthynyl]-2,6-diméthyl-3,5-pyridinedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 4-[(4-methoxyphenyl)ethynyl]-2,6-dimethyl-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Dimethyl-4-[(4-methoxyphenyl)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: 491.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.2±28.7 °C
Index of Refraction: 1.580
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 827.66
ACD/KOC (pH 5.5): 4267.23
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 828.01
ACD/KOC (pH 7.4): 4269.02
Polar Surface Area: 75 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 283.4±5.0 cm3

Click to predict properties on the Chemicalize site


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