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CAS Num: 087148-08-1

SMILES : CCCSSSSC

CHEM :

MOL FOR: C4 H10 S4

MOL WT : 186.36

------------------------------ 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) = 2.86

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

Boiling Pt (deg C): 268.37 (Adapted Stein & Brown method)

Melting Pt (deg C): 21.16 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0101 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.35 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 186.7

log Kow used: 2.86 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 302.91 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.09E-003 atm-m3/mole (5.16E+002 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: 1.327E-005 atm-m3/mole (1.344E+000 Pa-m3/mole)

VP: 0.0101 mm Hg (source: MPBPVP)

WS: 187 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.86 (KowWin est)

Log Kaw used: -0.682 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.542

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6588

Biowin2 (Non-Linear Model) : 0.5896

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7873 (weeks )

Biowin4 (Primary Survey Model) : 3.5789 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2574

Biowin6 (MITI Non-Linear Model): 0.1238

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7289

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.6944

BioHC Half-Life (days) : 4.9477

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

Vapor pressure (liquid/subcooled): 1.37 Pa (0.0103 mm Hg)

Log Koa (Koawin est ): 3.542

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

Mackay model : 2.18E-006

Octanol/air (Koa) model: 8.55E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.89E-005

Mackay model : 0.000175

Octanol/air (Koa) model: 6.84E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 461.3377 E-12 cm3/molecule-sec

Half-Life = 0.023 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 16.693 Min

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000127 (Junge-Pankow, Mackay avg)

6.84E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 436.8 L/kg (MCI method)

Log Koc: 2.640 (MCI method)

Koc : 303.2 L/kg (Kow method)

Log Koc: 2.482 (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 = 0.211 (BCF = 1.624 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5988 days (HL = 0.2519 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.635 (BCF = 43.19)

Log BAF Arnot-Gobas method (upper trophic) = 1.635 (BAF = 43.19)

log Kow used: 2.86 (estimated)

Volatilization from Water:

Henry LC: 0.00509 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.55 hours

Half-Life from Model Lake : 131.4 hours (5.474 days)

Removal In Wastewater Treatment:

Total removal: 67.55 percent

Total biodegradation: 0.05 percent

Total sludge adsorption: 2.80 percent

Total to Air: 64.70 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.312 0.556 1000

Water 35.2 360 1000

Soil 63.9 720 1000

Sediment 0.62 3.24e+003 0

Persistence Time: 180 hr

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