ChemSpider 2D Image | 8,8'-[1,2-Phenylenebis(carbonyloxy)]dioctanoic acid | C24H34O8

8,8'-[1,2-Phenylenebis(carbonyloxy)]dioctanoic acid

  • Molecular FormulaC24H34O8
  • Average mass450.522 Da
  • Monoisotopic mass450.225372 Da
  • ChemSpider ID28566902

More details:

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

1,2-Benzenedicarboxylic acid, bis(7-carboxyheptyl) ester [ACD/Index Name]
8,8'-[1,2-Phenylenbis(carbonyloxy)]dioctansäure [German] [ACD/IUPAC Name]
8,8'-[1,2-Phenylenebis(carbonyloxy)]dioctanoic acid [ACD/IUPAC Name]
Acide 8,8'-[1,2-phénylènebis(carbonyloxy)]dioctanoïque [French] [ACD/IUPAC Name]
632359-14-9 [RN]
8-(2-{[(7-CARBOXYHEPTYL)OXY]CARBONYL}BENZOYLOXY)OCTANOIC ACID

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

Density: 1.2±0.1 g/cm3
Boiling Point: 615.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 202.5±22.2 °C
Index of Refraction: 1.523
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 80.09
ACD/KOC (pH 5.5): 280.11
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 385.6±3.0 cm3

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