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CAS Number: 13932-13-3

SMILES : O(K)S(=O)(=O)SSS(=O)(=O)O(K)

CHEM :

MOL FOR: O6 S4 K2

MOL WT : 302.43

------------------------------ 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):

*** WARNING: Inorganic Compound (Outside Estimation Domain)

Log Kow (KOWWIN v1.68 estimate) = -7.18

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

*** WARNING: Inorganic Compound (Outside Estimate Domain) ***

*** WARNING: Estimations NOT VALID ***

Boiling Pt (deg C): 934.44 (Adapted Stein & Brown method)

Melting Pt (deg C): 349.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.2E-023 (Modified Grain method)

VP (Pa, 25 deg C) : 1.6E-021 (Modified Grain method)

Subcooled liquid VP: 6.14E-020 mm Hg (25 deg C, Mod-Grain method)

: 8.18E-018 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

*** WARNING: Inorganic Compound (Outside Estimation Domain)**

Water Solubility at 25 deg C (mg/L): 1e+006

log Kow used: -7.18 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

*** WARNING: Inorganic Compound (Outside Estimation Domain)***

*** WARNING: Wat Sol Estimation NOT Valid ***

Wat Sol (v1.01 est) = 3.3988e+005 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Inorganic Compound

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

*** WARNING: Inorganic Compound (Outside Estimation Domain) **

*** WARNING: Estimation NOT VALID **

Bond Method : Incomplete

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: 4.775E-030 atm-m3/mole (4.838E-025 Pa-m3/mole)

VP: 1.2E-023 mm Hg (source: MPBPVP)

WS: 1E+006 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Can Not Estimate (can not calculate HenryLC)

Probability of Rapid Biodegradation (BIOWIN v4.10):

*** WARNING: Inorganic Compound (Outside Estimation Domain)**

*** WARNING: Estimation NOT VALID ***

Biowin1 (Linear Model) : 0.6398

Biowin2 (Non-Linear Model) : 0.4492

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6992 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5213 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.0390

Biowin6 (MITI Non-Linear Model): 0.0179

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8361

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): 8.19E-018 Pa (6.14E-020 mm Hg)

Log Koa (): not available

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 3.66E+011

Octanol/air (Koa) model: not available

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: not available

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

*** WARNING: Inorganic Compound (Outside Estimation Domain)***

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 225.0000 E-12 cm3/molecule-sec

Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.570 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

not available (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

*** WARNING: Inorganic Coumpound (Outside Estimation Domain) **

*** WARNING: Estimation NOT VALID **

Koc : 1.574 L/kg (MCI method)

Log Koc: 0.197 (MCI method)

Koc : 0.00189 L/kg (Kow method)

Log Koc: -2.723 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -3.5040 days (HL = 0.0003133 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)

log Kow used: -3.88 (estimated)

Volatilization from Water:

Henry LC: 4.78E-030 atm-m3/mole (calculated from VP/WS)

Half-Life from Model River: 2.132E+026 hours (8.884E+024 days)

Half-Life from Model Lake : 2.326E+027 hours (9.692E+025 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 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 2.98e-009 1.14 1000

Water 44 900 1000

Soil 55.9 1.8e+003 1000

Sediment 0.0876 8.1e+003 0

Persistence Time: 1.01e+003 hr

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