Found 7 results

Search term: MF = 'C_{46}H_{58}O_{4}'
ChemSpider 2D Image | 1,2-Bis(4'-{[(3S)-3,7-dimethyloctyl]oxy}-4-biphenylyl)-1,2-ethanedione | C46H58O4

1,2-Bis(4'-{[(3S)-3,7-dimethyloctyl]oxy}-4-biphenylyl)-1,2-ethanedione

  • Molecular FormulaC46H58O4
  • Average mass674.950 Da
  • Monoisotopic mass674.433533 Da
  • ChemSpider ID10017528

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,2-Bis(4'-{[(3S)-3,7-dimethyloctyl]oxy}-4-biphenylyl)-1,2-ethandion [German] [ACD/IUPAC Name]
1,2-Bis(4'-{[(3S)-3,7-dimethyloctyl]oxy}-4-biphenylyl)-1,2-ethanedione [ACD/IUPAC Name]
1,2-Bis(4'-{[(3S)-3,7-diméthyloctyl]oxy}-4-biphénylyl)-1,2-éthanedione [French] [ACD/IUPAC Name]
1,2-Ethanedione, 1,2-bis[4'-[[(3S)-3,7-dimethyloctyl]oxy][1,1'-biphenyl]-4-yl]- [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: 760.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 301.9±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 207.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 15.13
ACD/LogD (pH 5.5): 13.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.04
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 82.1±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 657.6±3.0 cm3

Click to predict properties on the Chemicalize site


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