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CAS Number: 133448-14-3



MOL FOR: C26 H52 O2 S2

MOL WT : 460.82

------------------------------ EPI SUMMARY (v4.11) --------------------------

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 v1.68 estimate) = 10.71

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

Boiling Pt (deg C): 482.74 (Adapted Stein & Brown method)

Melting Pt (deg C): 179.48 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.85E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 2.46E-007 (Modified Grain method)

Subcooled liquid VP: 7.48E-008 mm Hg (25 deg C, Mod-Grain method)

: 9.97E-006 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 9.044e-007

log Kow used: 10.71 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.5525e-007 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 7.66E-006 atm-m3/mole (7.76E-001 Pa-m3/mole)

Group Method: 6.43E-006 atm-m3/mole (6.52E-001 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: 1.240E-003 atm-m3/mole (1.257E+002 Pa-m3/mole)

VP: 1.85E-009 mm Hg (source: MPBPVP)

WS: 9.04E-007 mg/L (source: WSKOWWIN)

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

Log Kow used: 10.71 (KowWin est)

Log Kaw used: -3.504 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 14.214

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7023

Biowin2 (Non-Linear Model) : 0.6329

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3210 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4118 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5241

Biowin6 (MITI Non-Linear Model): 0.4273

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8518

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 9.97E-006 Pa (7.48E-008 mm Hg)

Log Koa (Koawin est ): 14.214

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

Mackay model : 0.301

Octanol/air (Koa) model: 40.2

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.916

Mackay model : 0.96

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 51.5207 E-12 cm3/molecule-sec

Half-Life = 0.208 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.491 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.938 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8.325E+006 L/kg (MCI method)

Log Koc: 6.920 (MCI method)

Koc : 6.075E+006 L/kg (Kow method)

Log Koc: 6.784 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 1.391E-003 L/mol-sec

Kb Half-Life at pH 8: 15.790 years

Kb Half-Life at pH 7: 157.904 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.708 (BCF = 51.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8706 days (HL = 7.423 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.070 (BCF = 1.175)

Log BAF Arnot-Gobas method (upper trophic) = 1.433 (BAF = 27.12)

log Kow used: 10.71 (estimated)

Volatilization from Water:

Henry LC: 6.43E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 197.7 hours (8.236 days)

Half-Life from Model Lake : 2336 hours (97.34 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.155 4.98 1000

Water 15.6 900 1000

Soil 81.3 1.8e+003 1000

Sediment 3 8.1e+003 0

Persistence Time: 1.22e+003 hr

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