ChemSpider 2D Image | 2-Methyl-2-propanyl 3-oxo-4-(triphenylphosphoranylidene)butanoate | C26H27O3P

2-Methyl-2-propanyl 3-oxo-4-(triphenylphosphoranylidene)butanoate

  • Molecular FormulaC26H27O3P
  • Average mass418.465 Da
  • Monoisotopic mass418.169769 Da
  • ChemSpider ID28415965

More details:

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

2-Methyl-2-propanyl 3-oxo-4-(triphenylphosphoranylidene)butanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-oxo-4-(triphenylphosphoranyliden)butanoat [German] [ACD/IUPAC Name]
3-Oxo-4-(triphénylphosphoranylidène)butanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-oxo-4-(triphenylphosphoranylidene)-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 555.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 302.5±51.0 °C
Index of Refraction: 1.586
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 53 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 362.2±5.0 cm3

Click to predict properties on the Chemicalize site


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