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CAS Num: 002527-76-6

SMILES : s1c(C)c(S)cc1

CHEM :

MOL FOR: C5 H6 S2

MOL WT : 130.22

------------------------------ 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) = 3.05

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

Boiling Pt (deg C): 206.43 (Adapted Stein & Brown method)

Melting Pt (deg C): 17.72 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.261 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 34.8 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 226.7

log Kow used: 3.05 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 197.98 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Phenols

Thiophenes

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

Bond Method : 3.13E-004 atm-m3/mole (3.17E+001 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: 1.973E-004 atm-m3/mole (1.999E+001 Pa-m3/mole)

VP: 0.261 mm Hg (source: MPBPVP)

WS: 227 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.05 (KowWin est)

Log Kaw used: -1.893 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.943

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7402

Biowin2 (Non-Linear Model) : 0.8503

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8365 (weeks )

Biowin4 (Primary Survey Model) : 3.5913 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3826

Biowin6 (MITI Non-Linear Model): 0.3349

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2735

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): 32 Pa (0.24 mm Hg)

Log Koa (Koawin est ): 4.943

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

Mackay model : 9.38E-008

Octanol/air (Koa) model: 2.15E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.39E-006

Mackay model : 7.5E-006

Octanol/air (Koa) model: 1.72E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 67.9521 E-12 cm3/molecule-sec

Half-Life = 0.157 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.889 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.44E-006 (Junge-Pankow, Mackay avg)

1.72E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 210.1 L/kg (MCI method)

Log Koc: 2.322 (MCI method)

Koc : 443.3 L/kg (Kow method)

Log Koc: 2.647 (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 = 1.681 (BCF = 48.01 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6661 days (HL = 0.2157 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.705 (BCF = 50.65)

Log BAF Arnot-Gobas method (upper trophic) = 1.705 (BAF = 50.65)

log Kow used: 3.05 (estimated)

Volatilization from Water:

Henry LC: 0.000313 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.299 hours

Half-Life from Model Lake : 131.7 hours (5.486 days)

Removal In Wastewater Treatment:

Total removal: 17.76 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 5.59 percent

Total to Air: 12.05 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.757 3.78 1000

Water 22.9 360 1000

Soil 76.1 720 1000

Sediment 0.227 3.24e+003 0

Persistence Time: 349 hr

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