ChemSpider 2D Image | O,O-Diethyl O-[(1S)-1,2,2,2-tetrachloroethyl] phosphorothioate | C6H11Cl4O3PS

O,O-Diethyl O-[(1S)-1,2,2,2-tetrachloroethyl] phosphorothioate

  • Molecular FormulaC6H11Cl4O3PS
  • Average mass336.000 Da
  • Monoisotopic mass333.892059 Da
  • ChemSpider ID34991213

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

O,O-Diethyl O-[(1S)-1,2,2,2-tetrachloroethyl] phosphorothioate [ACD/IUPAC Name]
O,O-Diethyl-O-[(1S)-1,2,2,2-tetrachlorethyl]phosphorothioat [German] [ACD/IUPAC Name]
Phosphorothioate de O,O-diéthyle et de O-[(1S)-1,2,2,2-tétrachloroéthyle] [French] [ACD/IUPAC Name]
Phosphorothioic acid, O,O-diethyl O-[(1S)-1,2,2,2-tetrachloroethyl] ester [ACD/Index Name]
54593-83-8 [RN]
Chlorethoxyfos [Wiki]
UNII-1H22CUD2KR

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

Density: 1.5±0.1 g/cm3
Boiling Point: 288.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.6±3.0 kJ/mol
Flash Point: 128.1±30.1 °C
Index of Refraction: 1.522
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1339.44
ACD/KOC (pH 5.5): 6023.53
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1339.44
ACD/KOC (pH 7.4): 6023.53
Polar Surface Area: 70 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 224.6±3.0 cm3

Click to predict properties on the Chemicalize site


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