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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

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