ChemSpider 2D Image | (2E,6E)-4-(2-Methyl-2-propanyl)-2,6-bis[4-(octyloxy)benzylidene]cyclohexanone | C40H58O3

(2E,6E)-4-(2-Methyl-2-propanyl)-2,6-bis[4-(octyloxy)benzylidene]cyclohexanone

  • Molecular FormulaC40H58O3
  • Average mass586.887 Da
  • Monoisotopic mass586.438599 Da
  • ChemSpider ID68765517

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,6E)-4-(2-Methyl-2-propanyl)-2,6-bis[4-(octyloxy)benzyliden]cyclohexanon [German] [ACD/IUPAC Name]
(2E,6E)-4-(2-Methyl-2-propanyl)-2,6-bis[4-(octyloxy)benzylidene]cyclohexanone [ACD/IUPAC Name]
(2E,6E)-4-(2-Méthyl-2-propanyl)-2,6-bis[4-(octyloxy)benzylidène]cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 4-(1,1-dimethylethyl)-2,6-bis[[4-(octyloxy)phenyl]methylene]-, (2E,6E)- [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: 702.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 372.1±19.3 °C
Index of Refraction: 1.548
Molar Refractivity: 185.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 15.06
ACD/LogD (pH 5.5): 13.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 36 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 583.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement