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N-{[Dichloro(fluoro)methyl]sulfanyl}-N',N'-dimethyl-N-phenylsulfuric diamide
CN(C)S(=O)(=O)N(c1ccccc1)SC(F)(Cl)Cl
InChI=1S/C9H11Cl2FN2O2S2/c1-13(2)18(15,16)14(17-9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3
WURGXGVFSMYFCG-UHFFFAOYSA-N
CSID:13520, http://www.chemspider.com/Chemical-Structure.13520.html (accessed 10:18, May 13, 2024)
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) = 2.72 Log Kow (Exper. database match) = 3.70 Exper. Ref: Tomlin,C (1997) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 385.73 (Adapted Stein & Brown method) Melting Pt (deg C): 140.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.97E-006 (Modified Grain method) MP (exp database): 106 deg C VP (exp database): 1.12E-07 mm Hg at 25 deg C Subcooled liquid VP: 7.08E-007 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.408 log Kow used: 3.70 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.3 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1994) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 205.85 mg/L Wat Sol (Exper. database match) = 1.30 Exper. Ref: TOMLIN,C (1994) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.74E-007 atm-m3/mole Group Method: Incomplete Exper Database: 3.78E-08 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.408E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.70 (exp database) Log Kaw used: -5.811 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.511 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3103 Biowin2 (Non-Linear Model) : 0.0047 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9263 (months ) Biowin4 (Primary Survey Model) : 3.0172 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1501 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0544 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): 9.44E-005 Pa (7.08E-007 mm Hg) Log Koa (Koawin est ): 9.511 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0318 Octanol/air (Koa) model: 0.000796 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.534 Mackay model : 0.718 Octanol/air (Koa) model: 0.0599 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.9461 E-12 cm3/molecule-sec Half-Life = 0.716 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.588 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.626 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1067 Log Koc: 3.028 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 = 2.149 (BCF = 140.9) log Kow used: 3.70 (expkow database) Volatilization from Water: Henry LC: 3.78E-008 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.828E+004 hours (1178 days) Half-Life from Model Lake : 3.086E+005 hours (1.286E+004 days) Removal In Wastewater Treatment: Total removal: 18.44 percent Total biodegradation: 0.23 percent Total sludge adsorption: 18.21 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.122 17.2 1000 Water 10.5 1.44e+003 1000 Soil 87.9 2.88e+003 1000 Sediment 1.49 1.3e+004 0 Persistence Time: 2.33e+003 hr
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