ChemSpider 2D Image | 4-{3-[(1E,3E,5E,8E)-1,3,5,8-Tetradecatetraen-1-yl]-2-oxiranyl}butanoic acid | C20H30O3

4-{3-[(1E,3E,5E,8E)-1,3,5,8-Tetradecatetraen-1-yl]-2-oxiranyl}butanoic acid

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID95674335

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Oxiranebutanoic acid, 3-[(1E,3E,5E,8E)-1,3,5,8-tetradecatetraen-1-yl]- [ACD/Index Name]
4-{3-[(1E,3E,5E,8E)-1,3,5,8-Tetradecatetraen-1-yl]-2-oxiranyl}butanoic acid [ACD/IUPAC Name]
4-{3-[(1E,3E,5E,8E)-1,3,5,8-Tetradecatetraen-1-yl]-2-oxiranyl}butansäure [German] [ACD/IUPAC Name]
Acide 4-{3-[(1E,3E,5E,8E)-1,3,5,8-tétradécatétraén-1-yl]-2-oxiranyl}butanoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 484.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.1±6.0 kJ/mol
Flash Point: 165.1±16.7 °C
Index of Refraction: 1.549
Molar Refractivity: 97.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 871.27
ACD/KOC (pH 5.5): 2608.04
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 13.94
ACD/KOC (pH 7.4): 41.72
Polar Surface Area: 50 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 307.8±3.0 cm3

Click to predict properties on the Chemicalize site


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