ChemSpider 2D Image | 4-[(2-Methylbutoxy)carbonyl]phenyl 4-(dodecyloxy)benzoate | C31H44O5

4-[(2-Methylbutoxy)carbonyl]phenyl 4-(dodecyloxy)benzoate

  • Molecular FormulaC31H44O5
  • Average mass496.678 Da
  • Monoisotopic mass496.318878 Da
  • ChemSpider ID28716505

More details:






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

4-(Dodécyloxy)benzoate de 4-[(2-méthylbutoxy)carbonyl]phényle [French] [ACD/IUPAC Name]
4-[(2-Methylbutoxy)carbonyl]phenyl 4-(dodecyloxy)benzoate [ACD/IUPAC Name]
4-[(2-Methylbutoxy)carbonyl]phenyl-4-(dodecyloxy)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-(dodecyloxy)-, 4-[(2-methylbutoxy)carbonyl]phenyl ester [ACD/Index Name]
103408-70-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 597.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 248.7±26.0 °C
Index of Refraction: 1.516
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 11.77
ACD/LogD (pH 5.5): 10.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 62 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 482.7±3.0 cm3

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