ChemSpider 2D Image | 4-[4-(3-Carboxy-4-{[(2-methyl-2-propanyl)oxy]carbonyl}phenoxy)phenoxy]-2-{[(2-methyl-2-propanyl)oxy]carbonyl}benzoic acid | C30H30O10

4-[4-(3-Carboxy-4-{[(2-methyl-2-propanyl)oxy]carbonyl}phenoxy)phenoxy]-2-{[(2-methyl-2-propanyl)oxy]carbonyl}benzoic acid

  • Molecular FormulaC30H30O10
  • Average mass550.553 Da
  • Monoisotopic mass550.183899 Da
  • ChemSpider ID9137859

More details:

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

1,2-Benzenedicarboxylic acid, 4,4'-[1,4-phenylenebis(oxy)]bis-, 1',2-bis(1,1-dimethylethyl) ester [ACD/Index Name]
4-[4-(3-Carboxy-4-{[(2-methyl-2-propanyl)oxy]carbonyl}phenoxy)phenoxy]-2-{[(2-methyl-2-propanyl)oxy]carbonyl}benzoesäure [German] [ACD/IUPAC Name]
4-[4-(3-Carboxy-4-{[(2-methyl-2-propanyl)oxy]carbonyl}phenoxy)phenoxy]-2-{[(2-methyl-2-propanyl)oxy]carbonyl}benzoic acid [ACD/IUPAC Name]
Acide 4-[4-(3-carboxy-4-{[(2-méthyl-2-propanyl)oxy]carbonyl}phénoxy)phénoxy]-2-{[(2-méthyl-2-propanyl)oxy]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: 690.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 221.7±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 144.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 2.96
ACD/KOC (pH 5.5): 6.05
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 3.13
Polar Surface Area: 146 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 430.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement