ChemSpider 2D Image | (2E)-3-[2,5-Bis(hexyloxy)-3-methoxyphenyl]-1-[2,3-bis(hexyloxy)phenyl]-2-propen-1-one | C40H62O6

(2E)-3-[2,5-Bis(hexyloxy)-3-methoxyphenyl]-1-[2,3-bis(hexyloxy)phenyl]-2-propen-1-one

  • Molecular FormulaC40H62O6
  • Average mass638.917 Da
  • Monoisotopic mass638.454651 Da
  • ChemSpider ID24826959

More details:

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

(2E)-3-[2,5-Bis(hexyloxy)-3-methoxyphenyl]-1-[2,3-bis(hexyloxy)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[2,5-Bis(hexyloxy)-3-methoxyphenyl]-1-[2,3-bis(hexyloxy)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[2,5-Bis(hexyloxy)-3-méthoxyphényl]-1-[2,3-bis(hexyloxy)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[2,5-bis(hexyloxy)-3-methoxyphenyl]-1-[2,3-bis(hexyloxy)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: 720.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 288.2±32.9 °C
Index of Refraction: 1.516
Molar Refractivity: 193.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 14.23
ACD/LogD (pH 5.5): 12.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 63 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 640.0±3.0 cm3

Click to predict properties on the Chemicalize site


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