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Methyl dimethylphosphinodithioate
CP(C)(=S)SC
InChI=1S/C3H9PS2/c1-4(2,5)6-3/h1-3H3
RJDFYOFAKQIVMA-UHFFFAOYSA-N
Date of deprecation: 11:19, Feb 21, 2014 Reason for deprecation: Deprecate record: there are no supporting data sources.
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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, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 162.50 (Adapted Stein & Brown method) Melting Pt (deg C): -110.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.23 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2246 log Kow used: 1.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 21548 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.59E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.832E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.84 (KowWin est) Log Kaw used: -1.187 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.027 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6808 Biowin2 (Non-Linear Model) : 0.7346 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8893 (weeks ) Biowin4 (Primary Survey Model) : 3.6455 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2963 Biowin6 (MITI Non-Linear Model): 0.1879 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5974 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): 271 Pa (2.03 mm Hg) Log Koa (Koawin est ): 3.027 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.11E-008 Octanol/air (Koa) model: 2.61E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4E-007 Mackay model : 8.87E-007 Octanol/air (Koa) model: 2.09E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 56.0600 E-12 cm3/molecule-sec Half-Life = 0.191 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.290 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.44E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.269 Log Koc: 0.722 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 = 0.716 (BCF = 5.202) log Kow used: 1.84 (estimated) Volatilization from Water: Henry LC: 0.00159 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.644 hours Half-Life from Model Lake : 117.2 hours (4.884 days) Removal In Wastewater Treatment: Total removal: 40.42 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.39 percent Total to Air: 38.97 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.09 4.58 1000 Water 58.6 360 1000 Soil 37.1 720 1000 Sediment 0.177 3.24e+003 0 Persistence Time: 115 hr
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