ChemSpider 2D Image | Dimethyl 4,4'-(9,10-anthracenediyldi-2,1-ethynediyl)dibenzoate | C34H22O4

Dimethyl 4,4'-(9,10-anthracenediyldi-2,1-ethynediyl)dibenzoate

  • Molecular FormulaC34H22O4
  • Average mass494.536 Da
  • Monoisotopic mass494.151794 Da
  • ChemSpider ID29321750

More details:

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

4,4'-(9,10-Anthracènediyldi-2,1-éthynediyl)dibenzoate de diméthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4,4'-(9,10-anthracenediyldi-2,1-ethynediyl)bis-, dimethyl ester [ACD/Index Name]
Dimethyl 4,4'-(9,10-anthracenediyldi-2,1-ethynediyl)dibenzoate [ACD/IUPAC Name]
Dimethyl-4,4'-(9,10-anthracendiyldi-2,1-ethindiyl)dibenzoat [German] [ACD/IUPAC Name]
9,10-Bis(4-carbomethoxyphenylethynyl)anthracene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 367.0±28.5 °C
Index of Refraction: 1.716
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 9.76
ACD/LogD (pH 5.5): 8.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1285133.50
ACD/LogD (pH 7.4): 8.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1285133.50
Polar Surface Area: 53 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 376.6±5.0 cm3

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