ChemSpider 2D Image | 1,1'-(2,3-Dimethyl-1,4-butanediyl)bis{3,4-bis[(~2~H_3_)methyloxy]benzene} | C22H18D12O4

1,1'-(2,3-Dimethyl-1,4-butanediyl)bis{3,4-bis[(2H3)methyloxy]benzene}

  • Molecular FormulaC22H18D12O4
  • Average mass370.545 Da
  • Monoisotopic mass370.289734 Da
  • ChemSpider ID107434444

  • Non-standard isotope - Non-standard isotope

More details:

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

1,1'-(2,3-Dimethyl-1,4-butandiyl)bis{3,4-bis[(2H3)methyloxy]benzol} [German] [ACD/IUPAC Name]
1,1'-(2,3-Dimethyl-1,4-butanediyl)bis{3,4-bis[(2H3)methyloxy]benzene} [ACD/IUPAC Name]
1,1'-(2,3-Diméthyl-1,4-butanediyl)bis{3,4-bis[(2H3)méthyloxy]benzène} [French] [ACD/IUPAC Name]
Benzene, 1,1'-(2,3-dimethyl-1,4-butanediyl)bis[3,4-bis(methyl-d3-oxy)- [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: 458.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 108.8±34.2 °C
Index of Refraction: 1.522
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2942.47
ACD/KOC (pH 5.5): 10580.32
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2942.47
ACD/KOC (pH 7.4): 10580.32
Polar Surface Area: 37 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 345.7±3.0 cm3

Click to predict properties on the Chemicalize site


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