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CAS Number: 1192-52-5
SMILES : S1SC(=O)C(CL)=C1CL
CHEM :
MOL FOR: C3 CL2 O1 S2
MOL WT : 187.06
------------------------------ EPI SUMMARY (v4.11) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 1.83
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 259.53 (Adapted Stein & Brown method)
Melting Pt (deg C): 71.98 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00586 (Modified Grain method)
VP (Pa, 25 deg C) : 0.782 (Modified Grain method)
Subcooled liquid VP: 0.0163 mm Hg (25 deg C, Mod-Grain method)
: 2.17 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1390
log Kow used: 1.83 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1214.6 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Vinyl/Allyl Halides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.92E-005 atm-m3/mole (2.96E+000 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.038E-006 atm-m3/mole (1.051E-001 Pa-m3/mole)
VP: 0.00586 mm Hg (source: MPBPVP)
WS: 1.39E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.83 (KowWin est)
Log Kaw used: -2.923 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.753
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4357
Biowin2 (Non-Linear Model) : 0.0338
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4394 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3766 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1578
Biowin6 (MITI Non-Linear Model): 0.0155
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8068
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): 2.17 Pa (0.0163 mm Hg)
Log Koa (Koawin est ): 4.753
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.38E-006
Octanol/air (Koa) model: 1.39E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.99E-005
Mackay model : 0.00011
Octanol/air (Koa) model: 1.11E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 226.6978 E-12 cm3/molecule-sec
Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.566 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.003579 E-17 cm3/molecule-sec
Half-Life = 320.239 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
8.01E-005 (Junge-Pankow, Mackay avg)
1.11E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8.548 L/kg (MCI method)
Log Koc: 0.932 (MCI method)
Koc : 51.06 L/kg (Kow method)
Log Koc: 1.708 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.875 (BCF = 7.495 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.7326 days (HL = 0.1851 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.832 (BCF = 6.795)
Log BAF Arnot-Gobas method (upper trophic) = 0.832 (BAF = 6.795)
log Kow used: 1.83 (estimated)
Volatilization from Water:
Henry LC: 2.92E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 28.82 hours (1.201 days)
Half-Life from Model Lake : 429.1 hours (17.88 days)
Removal In Wastewater Treatment:
Total removal: 3.66 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.00 percent
Total to Air: 1.57 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.154 1.13 1000
Water 45.5 900 1000
Soil 54.2 1.8e+003 1000
Sediment 0.106 8.1e+003 0
Persistence Time: 507 hr