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CAS Number: 534-25-8

SMILES : C1=CSSC1=S

CHEM :

MOL FOR: C3 H2 S3

MOL WT : 134.23

------------------------------ EPI SUMMARY (v4.11) --------------------------

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 v1.68 estimate) = 1.45

Log Kow (Exper. database match) = 1.58

Exper. Ref: BONA,M ET AL. (1995)

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

Boiling Pt (deg C): 270.57 (Adapted Stein & Brown method)

Melting Pt (deg C): 64.04 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00396 (Modified Grain method)

VP (Pa, 25 deg C) : 0.528 (Modified Grain method)

Subcooled liquid VP: 0.00918 mm Hg (25 deg C, Mod-Grain method)

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

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 3957

log Kow used: 1.58 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3347.3 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 1.13E-003 atm-m3/mole (1.15E+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: 1.768E-007 atm-m3/mole (1.791E-002 Pa-m3/mole)

VP: 0.00396 mm Hg (source: MPBPVP)

WS: 3.96E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.58 (exp database)

Log Kaw used: -1.335 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 2.915

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6836

Biowin2 (Non-Linear Model) : 0.7508

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9025 (weeks )

Biowin4 (Primary Survey Model) : 3.6541 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3252

Biowin6 (MITI Non-Linear Model): 0.2155

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6890

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): 1.22 Pa (0.00918 mm Hg)

Log Koa (Koawin est ): 2.915

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

Mackay model : 2.45E-006

Octanol/air (Koa) model: 2.02E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.85E-005

Mackay model : 0.000196

Octanol/air (Koa) model: 1.61E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 281.4000 E-12 cm3/molecule-sec

Half-Life = 0.038 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 27.367 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

0.000142 (Junge-Pankow, Mackay avg)

1.61E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 34.53 L/kg (MCI method)

Log Koc: 1.538 (MCI method)

Koc : 125.7 L/kg (Kow method)

Log Koc: 2.099 (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 v3.01):

Log BCF from regression-based method = 0.709 (BCF = 5.123 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.1980 days (HL = 0.06339 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.547 (BCF = 3.526)

Log BAF Arnot-Gobas method (upper trophic) = 0.547 (BAF = 3.526)

log Kow used: 1.58 (expkow database)

Volatilization from Water:

Henry LC: 0.00113 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.783 hours

Half-Life from Model Lake : 116.6 hours (4.858 days)

Removal In Wastewater Treatment:

Total removal: 33.20 percent

Total biodegradation: 0.07 percent

Total sludge adsorption: 1.40 percent

Total to Air: 31.72 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.708 0.907 1000

Water 52 360 1000

Soil 47.1 720 1000

Sediment 0.17 3.24e+003 0

Persistence Time: 134 hr

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