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CAS Num: 006028-61-1

SMILES : S(SSCCC)CCC

CHEM : Trisulfide, dipropyl

MOL FOR: C6 H14 S3

MOL WT : 182.36

------------------------------ 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) = 3.84

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

Boiling Pt (deg C): 253.72 (Adapted Stein & Brown method)

Melting Pt (deg C): 10.95 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0223 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2.97 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 28.31

log Kow used: 3.84 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 31.412 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.82E-003 atm-m3/mole (5.89E+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: 1.890E-004 atm-m3/mole (1.915E+001 Pa-m3/mole)

VP: 0.0223 mm Hg (source: MPBPVP)

WS: 28.3 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.84 (KowWin est)

Log Kaw used: -0.624 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.464

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6607

Biowin2 (Non-Linear Model) : 0.6033

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7962 (weeks )

Biowin4 (Primary Survey Model) : 3.5846 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3681

Biowin6 (MITI Non-Linear Model): 0.2725

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7809

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.7608

BioHC Half-Life (days) : 5.7651

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

Vapor pressure (liquid/subcooled): 2.93 Pa (0.022 mm Hg)

Log Koa (Koawin est ): 4.464

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

Mackay model : 1.02E-006

Octanol/air (Koa) model: 7.14E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.69E-005

Mackay model : 8.18E-005

Octanol/air (Koa) model: 5.72E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 470.5538 E-12 cm3/molecule-sec

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

Half-Life = 16.366 Min

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.94E-005 (Junge-Pankow, Mackay avg)

5.72E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 796 L/kg (MCI method)

Log Koc: 2.901 (MCI method)

Koc : 2149 L/kg (Kow method)

Log Koc: 3.332 (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 = 0.859 (BCF = 7.223 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2383 days (HL = 0.5778 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.262 (BCF = 182.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.262 (BAF = 182.7)

log Kow used: 3.84 (estimated)

Volatilization from Water:

Henry LC: 0.00582 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.514 hours

Half-Life from Model Lake : 129.7 hours (5.406 days)

Removal In Wastewater Treatment:

Total removal: 73.99 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 16.41 percent

Total to Air: 57.45 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.241 0.546 1000

Water 29 360 1000

Soil 69.9 720 1000

Sediment 0.842 3.24e+003 0

Persistence Time: 217 hr

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