ChemSpider 2D Image | (2Z)-3-[2,5-Di(2-pentanyl)phenyl]-2-hydroxy-1-[2,3,6-tri(2-pentanyl)phenyl]-2-propen-1-one | C40H62O2

(2Z)-3-[2,5-Di(2-pentanyl)phenyl]-2-hydroxy-1-[2,3,6-tri(2-pentanyl)phenyl]-2-propen-1-one

  • Molecular FormulaC40H62O2
  • Average mass574.919 Da
  • Monoisotopic mass574.474976 Da
  • ChemSpider ID24826898

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-[2,5-Di(2-pentanyl)phenyl]-2-hydroxy-1-[2,3,6-tri(2-pentanyl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2Z)-3-[2,5-Di(2-pentanyl)phenyl]-2-hydroxy-1-[2,3,6-tri(2-pentanyl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2Z)-3-[2,5-Di(2-pentanyl)phényl]-2-hydroxy-1-[2,3,6-tri(2-pentanyl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[2,5-bis(1-methylbutyl)phenyl]-2-hydroxy-1-[2,3,6-tris(1-methylbutyl)phenyl]-, (2Z)- [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: 662.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 273.5±24.1 °C
Index of Refraction: 1.529
Molar Refractivity: 185.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 15.75
ACD/LogD (pH 5.5): 12.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 37 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 602.6±3.0 cm3

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