ChemSpider 2D Image | 1,3-benzenedicarboxylic acid, 5,5'-[1,4-butanediylbis(oxy)]bis- | C20H18O10

1,3-benzenedicarboxylic acid, 5,5'-[1,4-butanediylbis(oxy)]bis-

  • Molecular FormulaC20H18O10
  • Average mass418.351 Da
  • Monoisotopic mass418.089996 Da
  • ChemSpider ID21431369

More details:

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

1,3-benzenedicarboxylic acid, 5,5'-[1,4-butanediylbis(oxy)]bis-
113585-35-6 [RN]
5,5'-(Butane-1,4-diylbis(oxy))diisophthalic acid
5-[4-(3,5-dicarboxyphenoxy)butoxy]benzene-1,3-dicarboxylic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 790.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 281.4±26.4 °C
Index of Refraction: 1.635
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.42
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 73.4±3.0 dyne/cm
Molar Volume: 281.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement