ChemSpider 2D Image | Dimethyl {[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl](2-propyn-1-yloxy)methyl}phosphonate | C20H31O5P

Dimethyl {[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl](2-propyn-1-yloxy)methyl}phosphonate

  • Molecular FormulaC20H31O5P
  • Average mass382.431 Da
  • Monoisotopic mass382.190918 Da
  • ChemSpider ID67495116

More details:

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

{[4-Hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl](2-propyn-1-yloxy)méthyl}phosphonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl {[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl](2-propyn-1-yloxy)methyl}phosphonate [ACD/IUPAC Name]
Dimethyl-{[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl](2-propin-1-yloxy)methyl}phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl](2-propyn-1-yloxy)methyl]-, dimethyl ester [ACD/Index Name]
dimethyl (3,5-di-t-butyl-4-hydroxyphenyl)(prop-2-ynyloxy)methylphosphonate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 436.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 217.6±28.7 °C
Index of Refraction: 1.504
Molar Refractivity: 102.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1598.47
ACD/KOC (pH 5.5): 6836.05
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1593.61
ACD/KOC (pH 7.4): 6815.27
Polar Surface Area: 75 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 347.8±3.0 cm3

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