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CAS Num: 054934-99-5



MOL FOR: C8 H16 S3

MOL WT : 208.40

------------------------------ 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) = 4.01

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

Boiling Pt (deg C): 262.78 (Adapted Stein & Brown method)

Melting Pt (deg C): 65.11 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00579 (Modified Grain method)

VP (Pa, 25 deg C) : 0.773 (Modified Grain method)

Subcooled liquid VP: 0.0138 mm Hg (25 deg C, Mod-Grain method)

: 1.83 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 14.93

log Kow used: 4.01 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 8.8413 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.35E-005 atm-m3/mole (2.38E+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: 1.063E-004 atm-m3/mole (1.078E+001 Pa-m3/mole)

VP: 0.00579 mm Hg (source: MPBPVP)

WS: 14.9 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.01 (KowWin est)

Log Kaw used: -3.017 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.027

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6483

Biowin2 (Non-Linear Model) : 0.5124

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7386 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5471 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.0173

Biowin6 (MITI Non-Linear Model): 0.0204

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2650

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.5186

BioHC Half-Life (days) : 33.0093

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

Vapor pressure (liquid/subcooled): 1.84 Pa (0.0138 mm Hg)

Log Koa (Koawin est ): 7.027

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

Mackay model : 1.63E-006

Octanol/air (Koa) model: 2.61E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.89E-005

Mackay model : 0.00013

Octanol/air (Koa) model: 0.000209

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 417.9673 E-12 cm3/molecule-sec

Half-Life = 0.026 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 18.425 Min

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

9.47E-005 (Junge-Pankow, Mackay avg)

0.000209 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1833 L/kg (MCI method)

Log Koc: 3.263 (MCI method)

Koc : 3019 L/kg (Kow method)

Log Koc: 3.480 (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 = 2.312 (BCF = 205.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2162 days (HL = 0.6079 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.317 (BCF = 207.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.317 (BAF = 207.6)

log Kow used: 4.01 (estimated)

Volatilization from Water:

Henry LC: 2.35E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 37.44 hours (1.56 days)

Half-Life from Model Lake : 529.5 hours (22.06 days)

Removal In Wastewater Treatment:

Total removal: 31.26 percent

Total biodegradation: 0.32 percent

Total sludge adsorption: 30.05 percent

Total to Air: 0.88 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0317 0.614 1000

Water 16.4 900 1000

Soil 81.9 1.8e+003 1000

Sediment 1.69 8.1e+003 0

Persistence Time: 1.03e+003 hr

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