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CAS Num: 001191-62-4



MOL FOR: C8 H18 S2

MOL WT : 178.35

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 4.16

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

Boiling Pt (deg C): 259.44 (Adapted Stein & Brown method)

Melting Pt (deg C): 8.75 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00975 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.3 (Mean VP of Antoine & Grain methods)

BP (exp database): 269-270 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 15.79

log Kow used: 4.16 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.6913 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Thiols and Mercaptans

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

Bond Method : 6.74E-004 atm-m3/mole (6.83E+001 Pa-m3/mole)

Group Method: 1.62E-004 atm-m3/mole (1.64E+001 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.449E-004 atm-m3/mole (1.468E+001 Pa-m3/mole)

VP: 0.00975 mm Hg (source: MPBPVP)

WS: 15.8 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.16 (KowWin est)

Log Kaw used: -1.560 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.720

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6626

Biowin2 (Non-Linear Model) : 0.6168

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8050 (weeks )

Biowin4 (Primary Survey Model) : 3.5904 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5769

Biowin6 (MITI Non-Linear Model): 0.6927

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.0440

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 1.33 Pa (0.00996 mm Hg)

Log Koa (Koawin est ): 5.720

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

Mackay model : 2.26E-006

Octanol/air (Koa) model: 1.29E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.16E-005

Mackay model : 0.000181

Octanol/air (Koa) model: 1.03E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 91.3999 E-12 cm3/molecule-sec

Half-Life = 0.117 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.404 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000131 (Junge-Pankow, Mackay avg)

1.03E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1451 L/kg (MCI method)

Log Koc: 3.162 (MCI method)

Koc : 4074 L/kg (Kow method)

Log Koc: 3.610 (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 v3.00):

Log BCF from regression-based method = 1.036 (BCF = 10.86 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5231 days (HL = 0.2998 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.071 (BCF = 117.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.071 (BAF = 117.8)

log Kow used: 4.16 (estimated)

Volatilization from Water:

Henry LC: 0.000162 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 6.189 hours

Half-Life from Model Lake : 179.5 hours (7.479 days)

Removal In Wastewater Treatment:

Total removal: 41.44 percent

Total biodegradation: 0.36 percent

Total sludge adsorption: 36.52 percent

Total to Air: 4.56 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.386 2.81 1000

Water 20 360 1000

Soil 78.7 720 1000

Sediment 0.979 3.24e+003 0

Persistence Time: 428 hr

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