ChemSpider 2D Image | O,O-Diethyl (1-amino-3-methyl-2-butanyl)phosphonothioate | C9H22NO2PS

O,O-Diethyl (1-amino-3-methyl-2-butanyl)phosphonothioate

  • Molecular FormulaC9H22NO2PS
  • Average mass239.315 Da
  • Monoisotopic mass239.110886 Da
  • ChemSpider ID75116150

More details:

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

(1-Amino-3-méthyl-2-butanyl)phosphonothioate de O,O-diéthyle [French] [ACD/IUPAC Name]
O,O-Diethyl (1-amino-3-methyl-2-butanyl)phosphonothioate [ACD/IUPAC Name]
O,O-Diethyl-(1-amino-3-methyl-2-butanyl)phosphonothioat [German] [ACD/IUPAC Name]
Phosphonothioic acid, P-[1-(aminomethyl)-2-methylpropyl]-, O,O-diethyl ester [ACD/Index 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: 286.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.6±3.0 kJ/mol
Flash Point: 127.1±27.9 °C
Index of Refraction: 1.485
Molar Refractivity: 64.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 18.05
Polar Surface Area: 86 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 226.3±3.0 cm3

Click to predict properties on the Chemicalize site


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