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CAS Number: 291-22-5

SMILES : C1SSCSS1

CHEM : 1,2,4,5-tetrathiane

MOL FOR: C2 H4 S4

MOL WT : 156.29

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

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 2.31

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

Boiling Pt (deg C): 238.96 (Adapted Stein & Brown method)

Melting Pt (deg C): 59.54 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0223 (Modified Grain method)

VP (Pa, 25 deg C) : 2.98 (Modified Grain method)

Subcooled liquid VP: 0.0468 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 756.6

log Kow used: 2.31 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 342.9 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.64E-006 atm-m3/mole (6.72E-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: 6.061E-006 atm-m3/mole (6.141E-001 Pa-m3/mole)

VP: 0.0223 mm Hg (source: MPBPVP)

WS: 757 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.31 (KowWin est)

Log Kaw used: -3.566 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.876

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6731

Biowin2 (Non-Linear Model) : 0.6877

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8538 (weeks )

Biowin4 (Primary Survey Model) : 3.6222 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2866

Biowin6 (MITI Non-Linear Model): 0.1804

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5961

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.7073

BioHC Half-Life (days) : 50.9680

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

Vapor pressure (liquid/subcooled): 6.24 Pa (0.0468 mm Hg)

Log Koa (Koawin est ): 5.876

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

Mackay model : 4.81E-007

Octanol/air (Koa) model: 1.85E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.74E-005

Mackay model : 3.85E-005

Octanol/air (Koa) model: 1.48E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 563.6491 E-12 cm3/molecule-sec

Half-Life = 0.019 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 13.663 Min

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.79E-005 (Junge-Pankow, Mackay avg)

1.48E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 145.8 L/kg (MCI method)

Log Koc: 2.164 (MCI method)

Koc : 101 L/kg (Kow method)

Log Koc: 2.004 (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 = 1.192 (BCF = 15.54 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0352 days (HL = 0.09221 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.110 (BCF = 12.87)

Log BAF Arnot-Gobas method (upper trophic) = 1.110 (BAF = 12.87)

log Kow used: 2.31 (estimated)

Volatilization from Water:

Henry LC: 6.64E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 111.5 hours (4.646 days)

Half-Life from Model Lake : 1321 hours (55.05 days)

Removal In Wastewater Treatment:

Total removal: 3.02 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.55 percent

Total to Air: 0.37 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0518 0.456 1000

Water 27.1 360 1000

Soil 72.7 720 1000

Sediment 0.205 3.24e+003 0

Persistence Time: 438 hr

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