ChemSpider 2D Image | Diethyl {2-[(methylsulfanyl)methyl]benzyl}phosphonate | C13H21O3PS

Diethyl {2-[(methylsulfanyl)methyl]benzyl}phosphonate

  • Molecular FormulaC13H21O3PS
  • Average mass288.343 Da
  • Monoisotopic mass288.094910 Da
  • ChemSpider ID82969006

More details:

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

{2-[(Méthylsulfanyl)méthyl]benzyl}phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl {2-[(methylsulfanyl)methyl]benzyl}phosphonate [ACD/IUPAC Name]
Diethyl-{2-[(methylsulfanyl)methyl]benzyl}phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[[2-[(methylthio)methyl]phenyl]methyl]-, 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: 394.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 192.1±24.6 °C
Index of Refraction: 1.520
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.20
ACD/KOC (pH 5.5): 436.16
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.20
ACD/KOC (pH 7.4): 436.16
Polar Surface Area: 71 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 255.4±3.0 cm3

Click to predict properties on the Chemicalize site


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