ChemSpider 2D Image | (4-{3-[3,4-Bis(2-hydroxy-3,3-dimethylbutoxy)phenyl]-3-pentanyl}-2-methylphenoxy)acetic acid | C32H48O7

(4-{3-[3,4-Bis(2-hydroxy-3,3-dimethylbutoxy)phenyl]-3-pentanyl}-2-methylphenoxy)acetic acid

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID90620664

More details:

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

(4-{3-[3,4-Bis(2-hydroxy-3,3-dimethylbutoxy)phenyl]-3-pentanyl}-2-methylphenoxy)acetic acid [ACD/IUPAC Name]
(4-{3-[3,4-Bis(2-hydroxy-3,3-dimethylbutoxy)phenyl]-3-pentanyl}-2-methylphenoxy)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-[1-[3,4-bis(2-hydroxy-3,3-dimethylbutoxy)phenyl]-1-ethylpropyl]-2-methylphenoxy]- [ACD/Index Name]
Acide (4-{3-[3,4-bis(2-hydroxy-3,3-diméthylbutoxy)phényl]-3-pentanyl}-2-méthylphénoxy)acétique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 661.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 202.4±25.0 °C
Index of Refraction: 1.533
Molar Refractivity: 154.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 194.58
ACD/KOC (pH 5.5): 348.63
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 8.46
ACD/KOC (pH 7.4): 15.15
Polar Surface Area: 105 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 496.1±3.0 cm3

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