ChemSpider 2D Image | 4,4'-[1,4-Phenylenebis(carbonyloxy-4,1-butanediyloxycarbonyl)]dibenzoic acid | C32H30O12

4,4'-[1,4-Phenylenebis(carbonyloxy-4,1-butanediyloxycarbonyl)]dibenzoic acid

  • Molecular FormulaC32H30O12
  • Average mass606.573 Da
  • Monoisotopic mass606.173706 Da
  • ChemSpider ID57511798

More details:

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

1,4-Benzenedicarboxylic acid, bis[4-[(4-carboxybenzoyl)oxy]butyl] ester [ACD/Index Name]
4,4'-[1,4-Phenylenbis(carbonyloxy-4,1-butandiyloxycarbonyl)]dibenzoesäure [German] [ACD/IUPAC Name]
4,4'-[1,4-Phenylenebis(carbonyloxy-4,1-butanediyloxycarbonyl)]dibenzoic acid [ACD/IUPAC Name]
Acide 4,4'-[1,4-phénylènebis(carbonyloxy-4,1-butanediyloxycarbonyl)]dibenzoïque [French] [ACD/IUPAC Name]
4,4'-[1,4-Phenylenebis(carbonyloxybutane-4,1-diyloxycarbonyl)]dibenzoic acid
4-{[4-(4-{[4-(4-CARBOXYBENZOYLOXY)BUTOXY]CARBONYL}BENZOYLOXY)BUTOXY]CARBONYL}BENZOIC ACID
66885-76-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 795.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 254.3±26.4 °C
Index of Refraction: 1.595
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 8.30
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 95.74
ACD/KOC (pH 5.5): 98.56
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 17.06
ACD/KOC (pH 7.4): 17.56
Polar Surface Area: 180 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 453.9±3.0 cm3

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