ChemSpider 2D Image | (3E)-2-(2,2-Dihydroxyvinyl)-2,4-dihydroxy-4-(octadecyloxy)-3-butenoic acid | C24H44O7

(3E)-2-(2,2-Dihydroxyvinyl)-2,4-dihydroxy-4-(octadecyloxy)-3-butenoic acid

  • Molecular FormulaC24H44O7
  • Average mass444.602 Da
  • Monoisotopic mass444.308716 Da
  • ChemSpider ID95779729

More details:

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

(3E)-2-(2,2-Dihydroxyvinyl)-2,4-dihydroxy-4-(octadecyloxy)-3-butenoic acid [ACD/IUPAC Name]
(3E)-2-(2,2-Dihydroxyvinyl)-2,4-dihydroxy-4-(octadecyloxy)-3-butensäure [German] [ACD/IUPAC Name]
3-Butenoic acid, 2-(2,2-dihydroxyethenyl)-2,4-dihydroxy-4-(octadecyloxy)-, (3E)- [ACD/Index Name]
Acide (3E)-2-(2,2-dihydroxyvinyl)-2,4-dihydroxy-4-(octadécyloxy)-3-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 666.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±6.0 kJ/mol
Flash Point: 217.9±25.0 °C
Index of Refraction: 1.520
Molar Refractivity: 122.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 12.07
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 120.15
ACD/KOC (pH 5.5): 97.07
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 99.02
ACD/KOC (pH 7.4): 79.99
Polar Surface Area: 127 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 402.6±3.0 cm3

Click to predict properties on the Chemicalize site


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