ChemSpider 2D Image | 4-[(1Z)-1-Buten-1-yl]-2,6-dimethoxyphenyl nicotinate | C18H19NO4

4-[(1Z)-1-Buten-1-yl]-2,6-dimethoxyphenyl nicotinate

  • Molecular FormulaC18H19NO4
  • Average mass313.348 Da
  • Monoisotopic mass313.131409 Da
  • ChemSpider ID30654696

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Pyridinecarboxylic acid, 4-[(1Z)-1-buten-1-yl]-2,6-dimethoxyphenyl ester [ACD/Index Name]
4-[(1Z)-1-Buten-1-yl]-2,6-dimethoxyphenyl nicotinate [ACD/IUPAC Name]
4-[(1Z)-1-Buten-1-yl]-2,6-dimethoxyphenyl-nicotinat [German] [ACD/IUPAC Name]
Nicotinate de 4-[(1Z)-1-butén-1-yl]-2,6-diméthoxyphényle [French] [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: 508.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.6±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 89.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 410.48
ACD/KOC (pH 5.5): 2581.89
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 411.35
ACD/KOC (pH 7.4): 2587.34
Polar Surface Area: 58 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 271.6±3.0 cm3

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