ChemSpider 2D Image | Tetramethyl 5,5'-{[5-(benzyloxy)-1,3-phenylene]bis(methyleneoxy)}diisophthalate | C35H32O11

Tetramethyl 5,5'-{[5-(benzyloxy)-1,3-phenylene]bis(methyleneoxy)}diisophthalate

  • Molecular FormulaC35H32O11
  • Average mass628.622 Da
  • Monoisotopic mass628.194458 Da
  • ChemSpider ID30660184

More details:

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

1,3-Benzenedicarboxylic acid, 5,5'-[[5-(phenylmethoxy)-1,3-phenylene]bis(methyleneoxy)]bis-, tetramethyl ester [ACD/Index Name]
5,5'-{[5-(Benzyloxy)-1,3-phénylène]bis(méthylèneoxy)}diisophtalate de tétraméthyle [French] [ACD/IUPAC Name]
Tetramethyl 5,5'-{[5-(benzyloxy)-1,3-phenylene]bis(methyleneoxy)}diisophthalate [ACD/IUPAC Name]
Tetramethyl-5,5'-{[5-(benzyloxy)-1,3-phenylen]bis(methylenoxy)}diisophthalat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 753.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 310.2±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 166.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 47638.75
ACD/KOC (pH 5.5): 77636.54
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 47638.75
ACD/KOC (pH 7.4): 77636.54
Polar Surface Area: 133 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 495.1±3.0 cm3

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