ChemSpider 2D Image | (1E,4E)-1,5-Bis{3,4-bis[(~2~H_3_)methyloxy]phenyl}-1,4-pentadien-3-one | C21H10D12O5

(1E,4E)-1,5-Bis{3,4-bis[(2H3)methyloxy]phenyl}-1,4-pentadien-3-one

  • Molecular FormulaC21H10D12O5
  • Average mass366.470 Da
  • Monoisotopic mass366.222046 Da
  • ChemSpider ID34559641

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(1E,4E)-1,5-Bis{3,4-bis[(2H3)methyloxy]phenyl}-1,4-pentadien-3-on [German] [ACD/IUPAC Name]
(1E,4E)-1,5-Bis{3,4-bis[(2H3)methyloxy]phenyl}-1,4-pentadien-3-one [ACD/IUPAC Name]
(1E,4E)-1,5-Bis{3,4-bis[(2H3)méthyloxy]phényl}-1,4-pentadién-3-one [French] [ACD/IUPAC Name]
1,4-Pentadien-3-one, 1,5-bis[3,4-bis(methyl-d3-oxy)phenyl]-, (1E,4E)- [ACD/Index Name]
GO-035-d12
GO-035-d12

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

Density: 1.1±0.1 g/cm3
Boiling Point: 533.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 233.2±30.2 °C
Index of Refraction: 1.591
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.14
ACD/KOC (pH 5.5): 1489.25
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.14
ACD/KOC (pH 7.4): 1489.25
Polar Surface Area: 54 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 308.9±3.0 cm3

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