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CAS Num: 016630-61-8



MOL FOR: C8 H18 O2 S1

MOL WT : 178.29

------------------------------ 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) = 1.78

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

Boiling Pt (deg C): 212.36 (Adapted Stein & Brown method)

Melting Pt (deg C): -9.52 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.194 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 25.8 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1686

log Kow used: 1.78 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3666.9 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.68E-006 atm-m3/mole (1.70E-001 Pa-m3/mole)

Group Method: 6.58E-007 atm-m3/mole (6.67E-002 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: 2.699E-005 atm-m3/mole (2.735E+000 Pa-m3/mole)

VP: 0.194 mm Hg (source: MPBPVP)

WS: 1.69E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.78 (KowWin est)

Log Kaw used: -4.163 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.943

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0321

Biowin2 (Non-Linear Model) : 0.0017

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7878 (weeks )

Biowin4 (Primary Survey Model) : 3.5710 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3329

Biowin6 (MITI Non-Linear Model): 0.2388

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0210

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): 23.9 Pa (0.179 mm Hg)

Log Koa (Koawin est ): 5.943

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

Mackay model : 1.26E-007

Octanol/air (Koa) model: 2.15E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.54E-006

Mackay model : 1.01E-005

Octanol/air (Koa) model: 1.72E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 34.2149 E-12 cm3/molecule-sec

Half-Life = 0.313 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.751 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

7.3E-006 (Junge-Pankow, Mackay avg)

1.72E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 44.01 L/kg (MCI method)

Log Koc: 1.644 (MCI method)

Koc : 53.51 L/kg (Kow method)

Log Koc: 1.728 (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 = 0.843 (BCF = 6.969 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8520 days (HL = 0.1406 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.773 (BCF = 5.936)

Log BAF Arnot-Gobas method (upper trophic) = 0.773 (BAF = 5.936)

log Kow used: 1.78 (estimated)

Volatilization from Water:

Henry LC: 1.68E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 466.7 hours (19.45 days)

Half-Life from Model Lake : 5203 hours (216.8 days)

Removal In Wastewater Treatment:

Total removal: 2.18 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.99 percent

Total to Air: 0.10 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.79 7.5 1000

Water 31.4 360 1000

Soil 67.7 720 1000

Sediment 0.114 3.24e+003 0

Persistence Time: 420 hr

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