ChemSpider 2D Image | E-Caffeic acid pentyl ester | C14H18O4

E-Caffeic acid pentyl ester

  • Molecular FormulaC14H18O4
  • Average mass250.290 Da
  • Monoisotopic mass250.120514 Da
  • ChemSpider ID13573339

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3,4-Dihydroxyphényl)acrylate de pentyle [French] [ACD/IUPAC Name]
136944-11-1 [RN]
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, pentyl ester, (2E)- [ACD/Index Name]
E-Caffeic acid pentyl ester
Pentyl (2E)-3-(3,4-dihydroxyphenyl)acrylate [ACD/IUPAC Name]
Pentyl-(2E)-3-(3,4-dihydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
PENTYL 3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 409.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 151.6±19.4 °C
Index of Refraction: 1.579
Molar Refractivity: 70.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 179.46
ACD/KOC (pH 5.5): 1428.77
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 176.28
ACD/KOC (pH 7.4): 1403.50
Polar Surface Area: 67 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 213.3±3.0 cm3

Click to predict properties on the Chemicalize site


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