ChemSpider 2D Image | 2-[2,4-Bis(2,2-dimethylpropyl)phenoxy]butanoyl chloride | C20H31ClO2

2-[2,4-Bis(2,2-dimethylpropyl)phenoxy]butanoyl chloride

  • Molecular FormulaC20H31ClO2
  • Average mass338.912 Da
  • Monoisotopic mass338.201263 Da
  • ChemSpider ID28682117

More details:

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

2-[2,4-Bis(2,2-dimethylpropyl)phenoxy]butanoyl chloride [ACD/IUPAC Name]
2-[2,4-Bis(2,2-dimethylpropyl)phenoxy]butanoylchlorid [German] [ACD/IUPAC Name]
Butanoyl chloride, 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]- [ACD/Index Name]
Chlorure de 2-[2,4-bis(2,2-diméthylpropyl)phénoxy]butanoyle [French] [ACD/IUPAC Name]
136351-82-1 [RN]
2-(2,4-Dineopentylphenoxy)butanoyl chloride

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

Density: 1.0±0.1 g/cm3
Boiling Point: 394.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 144.5±24.2 °C
Index of Refraction: 1.497
Molar Refractivity: 98.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79819.09
ACD/KOC (pH 5.5): 112333.17
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 79819.09
ACD/KOC (pH 7.4): 112333.17
Polar Surface Area: 26 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 336.6±3.0 cm3

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