ChemSpider 2D Image | 4-({2-[(4-{[2-(Benzoyloxy)ethoxy]carbonyl}benzoyl)oxy]ethoxy}carbonyl)benzoic acid | C27H22O10

4-({2-[(4-{[2-(Benzoyloxy)ethoxy]carbonyl}benzoyl)oxy]ethoxy}carbonyl)benzoic acid

  • Molecular FormulaC27H22O10
  • Average mass506.458 Da
  • Monoisotopic mass506.121307 Da
  • ChemSpider ID95727455

More details:

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

1,4-Benzenedicarboxylic acid, 2-(benzoyloxy)ethyl 4,4'-(1,2-ethanediyl) ester [ACD/Index Name]
4-({2-[(4-{[2-(Benzoyloxy)ethoxy]carbonyl}benzoyl)oxy]ethoxy}carbonyl)benzoesäure [German] [ACD/IUPAC Name]
4-({2-[(4-{[2-(Benzoyloxy)ethoxy]carbonyl}benzoyl)oxy]ethoxy}carbonyl)benzoic acid [ACD/IUPAC Name]
Acide 4-({2-[(4-{[2-(benzoyloxy)éthoxy]carbonyl}benzoyl)oxy]éthoxy}carbonyl)benzoïque [French] [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: 691.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 231.1±25.0 °C
Index of Refraction: 1.602
Molar Refractivity: 128.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 275.31
ACD/KOC (pH 5.5): 609.31
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 14.86
ACD/KOC (pH 7.4): 32.90
Polar Surface Area: 143 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 375.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement