ChemSpider 2D Image | (2E)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-methylphenyl)-2-propen-1-one | C29H22F2O2

(2E)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-methylphenyl)-2-propen-1-one

  • Molecular FormulaC29H22F2O2
  • Average mass440.481 Da
  • Monoisotopic mass440.158783 Da
  • ChemSpider ID30657201

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(4,4''-Difluor-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-methylphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-methylphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(4,4''-Difluoro-5'-méthoxy-1,1':3',1''-terphényl-4'-yl)-3-(4-méthylphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(4,4''-difluoro-5'-methoxy[1,1':3',1''-terphenyl]-4'-yl)-3-(4-methylphenyl)-, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 596.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 303.0±25.0 °C
Index of Refraction: 1.609
Molar Refractivity: 127.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23879.18
ACD/KOC (pH 5.5): 47355.63
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23879.18
ACD/KOC (pH 7.4): 47355.63
Polar Surface Area: 26 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 369.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement