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CAS Num: 000629-45-8


CHEM : Disulfide, dibutyl

MOL FOR: C8 H18 S2

MOL WT : 178.35

------------------------------ 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) = 4.82

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

Boiling Pt (deg C): 238.40 (Adapted Stein & Brown method)

Melting Pt (deg C): 0.55 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0504 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 6.72 (Mean VP of Antoine & Grain methods)

BP (exp database): 117 @ 20 mm Hg deg C

VP (exp database): 6.32E-02 mm Hg (8.43E+000 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 4.292

log Kow used: 4.82 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.256 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.64E-003 atm-m3/mole (6.73E+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: 2.756E-003 atm-m3/mole (2.792E+002 Pa-m3/mole)

VP: 0.0504 mm Hg (source: MPBPVP)

WS: 4.29 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.82 (KowWin est)

Log Kaw used: -0.566 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.386

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8795

Biowin2 (Non-Linear Model) : 0.9847

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4017 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1286 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4789

Biowin6 (MITI Non-Linear Model): 0.4982

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1974

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.8272

BioHC Half-Life (days) : 6.7175

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

Vapor pressure (liquid/subcooled): 8.43 Pa (0.0632 mm Hg)

Log Koa (Koawin est ): 5.386

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

Mackay model : 3.56E-007

Octanol/air (Koa) model: 5.97E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.29E-005

Mackay model : 2.85E-005

Octanol/air (Koa) model: 4.78E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 248.3799 E-12 cm3/molecule-sec

Half-Life = 0.043 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.517 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.07E-005 (Junge-Pankow, Mackay avg)

4.78E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1451 L/kg (MCI method)

Log Koc: 3.162 (MCI method)

Koc : 1.524E+004 L/kg (Kow method)

Log Koc: 4.183 (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 = 1.507 (BCF = 32.12 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1905 days (HL = 1.551 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.769 (BCF = 587.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.773 (BAF = 592.2)

log Kow used: 4.82 (estimated)

Volatilization from Water:

Henry LC: 0.00664 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.481 hours

Half-Life from Model Lake : 128.1 hours (5.339 days)

Removal In Wastewater Treatment:

Total removal: 86.15 percent

Total biodegradation: 0.37 percent

Total sludge adsorption: 56.38 percent

Total to Air: 29.40 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.435 1.03 1000

Water 26.3 208 1000

Soil 72.4 416 1000

Sediment 0.867 1.87e+003 0

Persistence Time: 188 hr

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