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CAS Number: 2179-58-0

SMILES : S(SCC=C)C

CHEM : DISULFIDE, METHYL 2-PROPENYL

MOL FOR: C4 H8 S2

MOL WT : 120.23

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 2.72

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

Boiling Pt (deg C): 157.20 (Adapted Stein & Brown method)

Melting Pt (deg C): -46.58 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.87 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 382 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 477.1

log Kow used: 2.72 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 319.37 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.59E-003 atm-m3/mole (1.61E+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: 9.516E-004 atm-m3/mole (9.642E+001 Pa-m3/mole)

VP: 2.87 mm Hg (source: MPBPVP)

WS: 477 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.72 (KowWin est)

Log Kaw used: -1.187 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.907

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6903

Biowin2 (Non-Linear Model) : 0.7861

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9335 (weeks )

Biowin4 (Primary Survey Model) : 3.6743 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4229

Biowin6 (MITI Non-Linear Model): 0.3987

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5619

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.5722

BioHC Half-Life (days) : 3.7339

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

Vapor pressure (liquid/subcooled): 348 Pa (2.61 mm Hg)

Log Koa (Koawin est ): 3.907

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

Mackay model : 8.62E-009

Octanol/air (Koa) model: 1.98E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.11E-007

Mackay model : 6.9E-007

Octanol/air (Koa) model: 1.59E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 259.6460 E-12 cm3/molecule-sec

Half-Life = 0.041 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 29.660 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):

5.01E-007 (Junge-Pankow, Mackay avg)

1.59E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 131.5 L/kg (MCI method)

Log Koc: 2.119 (MCI method)

Koc : 229.2 L/kg (Kow method)

Log Koc: 2.360 (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 = 0.121 (BCF = 1.32 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4438 days (HL = 0.3599 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.601 (BCF = 39.93)

Log BAF Arnot-Gobas method (upper trophic) = 1.601 (BAF = 39.93)

log Kow used: 2.72 (estimated)

Volatilization from Water:

Henry LC: 0.00159 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.523 hours

Half-Life from Model Lake : 108.6 hours (4.523 days)

Removal In Wastewater Treatment:

Total removal: 41.23 percent

Total biodegradation: 0.08 percent

Total sludge adsorption: 2.88 percent

Total to Air: 38.28 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.512 0.948 1000

Water 36.7 360 1000

Soil 62.5 720 1000

Sediment 0.258 3.24e+003 0

Persistence Time: 183 hr

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