ChemSpider 2D Image | 2-(3-Octadecylbenzoyl)acrylic acid | C28H44O3

2-(3-Octadecylbenzoyl)acrylic acid

  • Molecular FormulaC28H44O3
  • Average mass428.647 Da
  • Monoisotopic mass428.329041 Da
  • ChemSpider ID20482573

More details:

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

2-(3-Octadecylbenzoyl)acrylic acid [ACD/IUPAC Name]
2-(3-Octadecylbenzoyl)acrylsäure [German] [ACD/IUPAC Name]
3-(4-Octadecyl)benzoylacrylic acid
Acide 2-(3-octadécylbenzoyl)acrylique [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-methylene-3-octadecyl-β-oxo- [ACD/Index Name]
134531-42-3 [RN]
2-(3-OCTADECYLBENZOYL)PROP-2-ENOIC ACID
221632-26-4 [RN]
2-Butenoic acid,4-(4-octadecylphenyl)-4-oxo-
OBAA

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

Density: 1.0±0.1 g/cm3
Boiling Point: 570.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 313.0±26.6 °C
Index of Refraction: 1.504
Molar Refractivity: 130.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 11.11
ACD/LogD (pH 5.5): 7.04
ACD/BCF (pH 5.5): 23002.42
ACD/KOC (pH 5.5): 5860.79
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 6019.17
ACD/KOC (pH 7.4): 1533.62
Polar Surface Area: 54 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 440.4±3.0 cm3

Click to predict properties on the Chemicalize site


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