ChemSpider 2D Image | Dimethyl 4-[(3,5-dimethylphenyl)ethynyl]-2,6-dimethyl-3,5-pyridinedicarboxylate | C21H21NO4

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

  • Molecular FormulaC21H21NO4
  • Average mass351.396 Da
  • Monoisotopic mass351.147064 Da
  • ChemSpider ID30661394

More details:

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

3,5-Pyridinedicarboxylic acid, 4-[2-(3,5-dimethylphenyl)ethynyl]-2,6-dimethyl-, dimethyl ester [ACD/Index Name]
4-[(3,5-Diméthylphényl)éthynyl]-2,6-diméthyl-3,5-pyridinedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 4-[(3,5-dimethylphenyl)ethynyl]-2,6-dimethyl-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Dimethyl-4-[(3,5-dimethylphenyl)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: 498.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 255.0±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 97.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4974.75
ACD/KOC (pH 5.5): 15405.96
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4976.83
ACD/KOC (pH 7.4): 15412.42
Polar Surface Area: 65 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 293.1±5.0 cm3

Click to predict properties on the Chemicalize site


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