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O,O-Diethyl phosphorodithioate
[S-]P(=S)(OCC)OCC CopyCopied
InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)/p-1 CopyCopied
IRDLUHRVLVEUHA-UHFFFAOYSA-M CopyCopied
Date of deprecation: 12:29, Dec 3, 2012 Reason for deprecation: Deprecate record: appears to be name to structure error
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 235.63 (Adapted Stein & Brown method) Melting Pt (deg C): -59.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0583 (Mean VP of Antoine & Grain methods) MP (exp database): -10 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 625 log Kow used: 2.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 868.19 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Esters (phosphate) Nearest analog analysis: pesticides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.71E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.286E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.24 (KowWin est) Log Kaw used: -1.819 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.059 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6589 Biowin2 (Non-Linear Model) : 0.5901 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7876 (weeks ) Biowin4 (Primary Survey Model) : 3.5791 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2578 Biowin6 (MITI Non-Linear Model): 0.1243 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7289 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 7.39 Pa (0.0554 mm Hg) Log Koa (Koawin est ): 4.059 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.06E-007 Octanol/air (Koa) model: 2.81E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.47E-005 Mackay model : 3.25E-005 Octanol/air (Koa) model: 2.25E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 91.6286 E-12 cm3/molecule-sec Half-Life = 0.117 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.401 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.36E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.6 Log Koc: 1.552 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.026 (BCF = 10.62) log Kow used: 2.24 (estimated) Volatilization from Water: Henry LC: 0.000371 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.546 hours Half-Life from Model Lake : 153.1 hours (6.38 days) Removal In Wastewater Treatment: Total removal: 16.58 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.18 percent Total to Air: 14.32 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.879 2.8 1000 Water 30.7 360 1000 Soil 68.3 720 1000 Sediment 0.145 3.24e+003 0 Persistence Time: 262 hr
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