ChemSpider 2D Image | O,O-Diethyl [5-(2-methyl-2-propanyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]phosphonothioate | C10H19N2O4PS

O,O-Diethyl [5-(2-methyl-2-propanyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]phosphonothioate

  • Molecular FormulaC10H19N2O4PS
  • Average mass294.308 Da
  • Monoisotopic mass294.080322 Da
  • ChemSpider ID57442021

More details:

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

[5-(2-Méthyl-2-propanyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]phosphonothioate de O,O-diéthyle [French] [ACD/IUPAC Name]
O,O-Diethyl [5-(2-methyl-2-propanyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]phosphonothioate [ACD/IUPAC Name]
O,O-Diethyl-[5-(2-methyl-2-propanyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]phosphonothioat [German] [ACD/IUPAC Name]
Phosphonothioic acid, P-[5-(1,1-dimethylethyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]-, O,O-diethyl ester [ACD/Index Name]
PHOSPHONOTHIOIC ACID,[5-(1,1-DIMETHYLETHYL)-2-OXO-1,3,4-OXADIAZOL-3(2H)-YL]-, O,O-DIETHYLESTER

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

Density: 1.3±0.1 g/cm3
Boiling Point: 311.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.3±3.0 kJ/mol
Flash Point: 142.4±23.2 °C
Index of Refraction: 1.545
Molar Refractivity: 71.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.55
ACD/KOC (pH 5.5): 224.81
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.55
ACD/KOC (pH 7.4): 224.81
Polar Surface Area: 102 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 227.6±7.0 cm3

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