1-Chloro-2-({2-[(2-chloroethyl)sulfanyl]ethyl}sulfanyl)ethane
C(CSCCCl)SCCCl
InChI=1S/C6H12Cl2S2/c7-1-3-9-5-6-10-4-2-8/h1-6H2
AMGNHZVUZWILSB-UHFFFAOYSA-N
CSID:18025, http://www.chemspider.com/Chemical-Structure.18025.html (accessed 07:47, Apr 19, 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) = 2.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 294.01 (Adapted Stein & Brown method) Melting Pt (deg C): 24.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00268 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 97.77 log Kow used: 2.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 39.355 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.43E-006 atm-m3/mole Group Method: 4.66E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.906E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.99 (KowWin est) Log Kaw used: -4.003 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.993 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4204 Biowin2 (Non-Linear Model) : 0.0217 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3684 (weeks-months) Biowin4 (Primary Survey Model) : 3.3303 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3587 Biowin6 (MITI Non-Linear Model): 0.0756 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9627 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): 0.357 Pa (0.00268 mm Hg) Log Koa (Koawin est ): 6.993 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.4E-006 Octanol/air (Koa) model: 2.42E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000303 Mackay model : 0.000671 Octanol/air (Koa) model: 0.000193 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.4400 E-12 cm3/molecule-sec Half-Life = 0.390 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.678 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.000487 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1724 Log Koc: 3.236 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 = 1.600 (BCF = 39.81) log Kow used: 2.99 (estimated) Volatilization from Water: Henry LC: 4.66E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.86E+005 hours (7751 days) Half-Life from Model Lake : 2.029E+006 hours (8.456E+004 days) Removal In Wastewater Treatment: Total removal: 5.61 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.48 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 0.0326 9.36 1000 Water 13.4 900 1000 Soil 86.2 1.8e+003 1000 Sediment 0.299 8.1e+003 0 Persistence Time: 1.67e+003 hr
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