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CAS Number:



MOL FOR: C6 H12 S4

MOL WT : 212.40

------------------------------ 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) = 3.70

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

Boiling Pt (deg C): 298.50 (Adapted Stein & Brown method)

Melting Pt (deg C): 30.20 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0019 (Modified Grain method)

VP (Pa, 25 deg C) : 0.253 (Modified Grain method)

Subcooled liquid VP: 0.00211 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 26.06

log Kow used: 3.70 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 30.122 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 6.69E-003 atm-m3/mole (6.78E+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: 2.038E-005 atm-m3/mole (2.065E+000 Pa-m3/mole)

VP: 0.0019 mm Hg (source: MPBPVP)

WS: 26.1 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.70 (KowWin est)

Log Kaw used: -0.563 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.263

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6464

Biowin2 (Non-Linear Model) : 0.4981

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7298 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5413 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2475

Biowin6 (MITI Non-Linear Model): 0.0986

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6139

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.8378

BioHC Half-Life (days) : 6.8829

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

Vapor pressure (liquid/subcooled): 0.281 Pa (0.00211 mm Hg)

Log Koa (Koawin est ): 4.263

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

Mackay model : 1.07E-005

Octanol/air (Koa) model: 4.5E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000385

Mackay model : 0.000852

Octanol/air (Koa) model: 3.6E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 493.8621 E-12 cm3/molecule-sec

Half-Life = 0.022 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 15.594 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.000619 (Junge-Pankow, Mackay avg)

3.6E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1451 L/kg (MCI method)

Log Koc: 3.162 (MCI method)

Koc : 1625 L/kg (Kow method)

Log Koc: 3.211 (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 = 0.769 (BCF = 5.871 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3300 days (HL = 0.4678 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.158 (BCF = 143.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.158 (BAF = 143.9)

log Kow used: 3.70 (estimated)

Volatilization from Water:

Henry LC: 0.00669 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.615 hours

Half-Life from Model Lake : 139.8 hours (5.826 days)

Removal In Wastewater Treatment:

Total removal: 75.39 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 12.52 percent

Total to Air: 62.76 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.146 0.508 1000

Water 21.5 900 1000

Soil 76.6 1.8e+003 1000

Sediment 1.75 8.1e+003 0

Persistence Time: 372 hr

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