Found 16 results

Search term: MF = 'C_{28}H_{29}BrO_{2}'
ChemSpider 2D Image | (2E)-3-{3-Bromo-4-[(2,5-dimethylbenzyl)oxy]phenyl}-1-(4-butylphenyl)-2-propen-1-one | C28H29BrO2

(2E)-3-{3-Bromo-4-[(2,5-dimethylbenzyl)oxy]phenyl}-1-(4-butylphenyl)-2-propen-1-one

  • Molecular FormulaC28H29BrO2
  • Average mass477.433 Da
  • Monoisotopic mass476.135071 Da
  • ChemSpider ID126695590

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{3-Brom-4-[(2,5-dimethylbenzyl)oxy]phenyl}-1-(4-butylphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-{3-Bromo-4-[(2,5-dimethylbenzyl)oxy]phenyl}-1-(4-butylphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-{3-Bromo-4-[(2,5-diméthylbenzyl)oxy]phényl}-1-(4-butylphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[3-bromo-4-[(2,5-dimethylphenyl)methoxy]phenyl]-1-(4-butylphenyl)-, (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: 601.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.7±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 9.22
ACD/LogD (pH 5.5): 8.20
ACD/BCF (pH 5.5): 998606.56
ACD/KOC (pH 5.5): 685385.06
ACD/LogD (pH 7.4): 8.20
ACD/BCF (pH 7.4): 998606.56
ACD/KOC (pH 7.4): 685385.06
Polar Surface Area: 26 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 389.1±3.0 cm3

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