ChemSpider 2D Image | (2E)-3-[5-Ethyl-2-(2-pentanyl)phenyl]-1-[4-hydroxy-2,3,5-tri(2-pentanyl)phenyl]-2-propen-1-one | C37H56O2

(2E)-3-[5-Ethyl-2-(2-pentanyl)phenyl]-1-[4-hydroxy-2,3,5-tri(2-pentanyl)phenyl]-2-propen-1-one

  • Molecular FormulaC37H56O2
  • Average mass532.839 Da
  • Monoisotopic mass532.428040 Da
  • ChemSpider ID24827054

More details:

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

(2E)-3-[5-Ethyl-2-(2-pentanyl)phenyl]-1-[4-hydroxy-2,3,5-tri(2-pentanyl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[5-Ethyl-2-(2-pentanyl)phenyl]-1-[4-hydroxy-2,3,5-tri(2-pentanyl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[5-Éthyl-2-(2-pentanyl)phényl]-1-[4-hydroxy-2,3,5-tri(2-pentanyl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[5-ethyl-2-(1-methylbutyl)phenyl]-1-[4-hydroxy-2,3,5-tris(1-methylbutyl)phenyl]-, (2E)- [ACD/Index 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: 640.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 265.2±24.1 °C
Index of Refraction: 1.535
Molar Refractivity: 172.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 14.24
ACD/LogD (pH 5.5): 12.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 37 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 553.4±3.0 cm3

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