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CAS Num: 000110-81-6


CHEM : Disulfide, diethyl

MOL FOR: C4 H10 S2

MOL WT : 122.24

------------------------------ 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) = 2.86

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

Boiling Pt (deg C): 158.83 (Adapted Stein & Brown method)

Melting Pt (deg C): -45.22 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.31 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 442 (Mean VP of Antoine & Grain methods)

MP (exp database): -101.5 deg C

BP (exp database): 154.1 deg C

VP (exp database): 4.28E+00 mm Hg (5.71E+002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 358.7

log Kow used: 2.86 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 300 mg/L (25 deg C)

Exper. Ref: derived from experimental HLC data

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 313.84 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.14E-003 atm-m3/mole (2.17E+002 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 2.15E-03 atm-m3/mole (2.18E+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: 1.484E-003 atm-m3/mole (1.504E+002 Pa-m3/mole)

VP: 3.31 mm Hg (source: MPBPVP)

WS: 359 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.86 (KowWin est)

Log Kaw used: -1.056 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.916

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6893

Biowin2 (Non-Linear Model) : 0.7812

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9290 (weeks )

Biowin4 (Primary Survey Model) : 3.6714 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4481

Biowin6 (MITI Non-Linear Model): 0.4736

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7289

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.5616

BioHC Half-Life (days) : 3.6442

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

Vapor pressure (liquid/subcooled): 571 Pa (4.28 mm Hg)

Log Koa (Koawin est ): 3.916

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

Mackay model : 5.26E-009

Octanol/air (Koa) model: 2.02E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.9E-007

Mackay model : 4.21E-007

Octanol/air (Koa) model: 1.62E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 239.9050 E-12 cm3/molecule-sec

Half-Life = 0.045 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.535 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.05E-007 (Junge-Pankow, Mackay avg)

1.62E-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 : 303.2 L/kg (Kow method)

Log Koc: 2.482 (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 = 0.211 (BCF = 1.624 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4343 days (HL = 0.3678 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.700 (BCF = 50.13)

Log BAF Arnot-Gobas method (upper trophic) = 1.700 (BAF = 50.13)

log Kow used: 2.86 (estimated)

Volatilization from Water:

Henry LC: 0.00215 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.429 hours

Half-Life from Model Lake : 108.3 hours (4.512 days)

Removal In Wastewater Treatment:

Total removal: 48.23 percent

Total biodegradation: 0.07 percent

Total sludge adsorption: 3.33 percent

Total to Air: 44.83 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.679 1.07 1000

Water 40.9 360 1000

Soil 58.1 720 1000

Sediment 0.288 3.24e+003 0

Persistence Time: 161 hr

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