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CAS Num: 001191-43-1

SMILES : SCCCCCCS

CHEM :

MOL FOR: C6 H14 S2

MOL WT : 150.30

------------------------------ 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) = 3.18

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

Boiling Pt (deg C): 223.64 (Adapted Stein & Brown method)

Melting Pt (deg C): -12.97 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.109 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 14.5 (Mean VP of Antoine & Grain methods)

BP (exp database): 118-119 @ 15 mm Hg deg C

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

Water Solubility at 25 deg C (mg/L): 146.9

log Kow used: 3.18 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 26.895 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Thiols and Mercaptans

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

Bond Method : 3.82E-004 atm-m3/mole (3.87E+001 Pa-m3/mole)

Group Method: 8.10E-005 atm-m3/mole (8.21E+000 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.467E-004 atm-m3/mole (1.487E+001 Pa-m3/mole)

VP: 0.109 mm Hg (source: MPBPVP)

WS: 147 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.18 (KowWin est)

Log Kaw used: -1.806 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.986

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6760

Biowin2 (Non-Linear Model) : 0.7057

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8670 (weeks )

Biowin4 (Primary Survey Model) : 3.6309 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5615

Biowin6 (MITI Non-Linear Model): 0.6822

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9920

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 13.6 Pa (0.102 mm Hg)

Log Koa (Koawin est ): 4.986

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

Mackay model : 2.21E-007

Octanol/air (Koa) model: 2.38E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.97E-006

Mackay model : 1.76E-005

Octanol/air (Koa) model: 1.9E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 88.5738 E-12 cm3/molecule-sec

Half-Life = 0.121 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.449 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.28E-005 (Junge-Pankow, Mackay avg)

1.9E-006 (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 : 574.8 L/kg (Kow method)

Log Koc: 2.760 (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 = 1.762 (BCF = 57.83 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8014 days (HL = 0.158 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.665 (BCF = 46.23)

Log BAF Arnot-Gobas method (upper trophic) = 1.665 (BAF = 46.23)

log Kow used: 3.18 (estimated)

Volatilization from Water:

Henry LC: 8.1E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 10.11 hours

Half-Life from Model Lake : 213.1 hours (8.88 days)

Removal In Wastewater Treatment:

Total removal: 11.19 percent

Total biodegradation: 0.13 percent

Total sludge adsorption: 7.25 percent

Total to Air: 3.80 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.381 2.9 1000

Water 22.6 360 1000

Soil 76.6 720 1000

Sediment 0.397 3.24e+003 0

Persistence Time: 426 hr

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