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CAS Num: 000624-92-0

SMILES : S(SC)C

CHEM : Disulfide, dimethyl

MOL FOR: C2 H6 S2

MOL WT : 94.19

------------------------------ 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) = 1.87

Log Kow (Exper. database match) = 1.77

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 113.62 (Adapted Stein & Brown method)

Melting Pt (deg C): -69.69 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 24.5 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 3.27E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): -85 deg C

BP (exp database): 109.8 deg C

VP (exp database): 2.87E+01 mm Hg (3.83E+003 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 3739

log Kow used: 1.77 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 3000 mg/L (25 deg C)

Exper. Ref: derived from experimental HLC data

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2867.6 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.21E-003 atm-m3/mole (1.23E+002 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 1.21E-03 atm-m3/mole (1.23E+002 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: 8.121E-004 atm-m3/mole (8.228E+001 Pa-m3/mole)

VP: 24.5 mm Hg (source: MPBPVP)

WS: 3.74E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.77 (exp database)

Log Kaw used: -1.306 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.076

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7027

Biowin2 (Non-Linear Model) : 0.8417

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9910 (weeks )

Biowin4 (Primary Survey Model) : 3.7118 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4327

Biowin6 (MITI Non-Linear Model): 0.4614

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6769

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.4288

BioHC Half-Life (days) : 2.6841

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

Vapor pressure (liquid/subcooled): 3.83E+003 Pa (28.7 mm Hg)

Log Koa (Koawin est ): 3.076

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

Mackay model : 7.84E-010

Octanol/air (Koa) model: 2.92E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.83E-008

Mackay model : 6.27E-008

Octanol/air (Koa) model: 2.34E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 227.1216 E-12 cm3/molecule-sec

Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.565 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.55E-008 (Junge-Pankow, Mackay avg)

2.34E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 39.6 L/kg (MCI method)

Log Koc: 1.598 (MCI method)

Koc : 34.34 L/kg (Kow method)

Log Koc: 1.536 (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 = -0.506 (BCF = 0.3122 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7444 days (HL = 0.1801 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.782 (BCF = 6.053)

Log BAF Arnot-Gobas method (upper trophic) = 0.782 (BAF = 6.053)

log Kow used: 1.77 (expkow database)

Volatilization from Water:

Henry LC: 0.00121 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.46 hours

Half-Life from Model Lake : 97.3 hours (4.054 days)

Removal In Wastewater Treatment:

Total removal: 34.61 percent

Total biodegradation: 0.07 percent

Total sludge adsorption: 1.45 percent

Total to Air: 33.09 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.869 1.13 1000

Water 51 360 1000

Soil 48 720 1000

Sediment 0.177 3.24e+003 0

Persistence Time: 136 hr

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