ChemSpider 2D Image | 5-[(9Z)-9-Octadecen-1-yloxy]-3-thiophenecarboxylic acid | C23H38O3S

5-[(9Z)-9-Octadecen-1-yloxy]-3-thiophenecarboxylic acid

  • Molecular FormulaC23H38O3S
  • Average mass394.611 Da
  • Monoisotopic mass394.254150 Da
  • ChemSpider ID57512818
  • Double-bond stereo - Double-bond stereo


More details:






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

3-Thiophenecarboxylic acid, 5-[(9Z)-9-octadecen-1-yloxy]- [ACD/Index Name]
5-[(9Z)-9-Octadecen-1-yloxy]-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-[(9Z)-9-Octadecen-1-yloxy]-3-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-[(9Z)-9-octadécén-1-yloxy]-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
5-[(9Z)-OCTADEC-9-EN-1-YLOXY]THIOPHENE-3-CARBOXYLIC ACID

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 531.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 275.3±27.3 °C
Index of Refraction: 1.513
Molar Refractivity: 117.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 10.46
ACD/LogD (pH 5.5): 8.31
ACD/BCF (pH 5.5): 667057.75
ACD/KOC (pH 5.5): 249788.27
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 14982.65
ACD/KOC (pH 7.4): 5610.44
Polar Surface Area: 75 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 389.7±3.0 cm3

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