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CAS Number: 14252-42-7


CHEM : 1,1-bis(ethylsulfanyl)ethane

MOL FOR: C6 H14 S2

MOL WT : 150.30

------------------------------ 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) = 3.20

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

Boiling Pt (deg C): 188.26 (Adapted Stein & Brown method)

Melting Pt (deg C): -32.86 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.645 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 86 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 140.4

log Kow used: 3.20 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 458.43 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.96E-005 atm-m3/mole (1.99E+000 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: 9.085E-004 atm-m3/mole (9.206E+001 Pa-m3/mole)

VP: 0.645 mm Hg (source: MPBPVP)

WS: 140 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.20 (KowWin est)

Log Kaw used: -3.096 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.296

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6760

Biowin2 (Non-Linear Model) : 0.7057

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8670 (weeks )

Biowin4 (Primary Survey Model) : 3.6309 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3144

Biowin6 (MITI Non-Linear Model): 0.2698

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4835

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.7557

BioHC Half-Life (days) : 5.6978

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

Vapor pressure (liquid/subcooled): 78.3 Pa (0.587 mm Hg)

Log Koa (Koawin est ): 6.296

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

Mackay model : 3.83E-008

Octanol/air (Koa) model: 4.85E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.38E-006

Mackay model : 3.07E-006

Octanol/air (Koa) model: 3.88E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 136.5018 E-12 cm3/molecule-sec

Half-Life = 0.078 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.940 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

2.23E-006 (Junge-Pankow, Mackay avg)

3.88E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 384.5 L/kg (MCI method)

Log Koc: 2.585 (MCI method)

Koc : 598.2 L/kg (Kow method)

Log Koc: 2.777 (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 = 1.777 (BCF = 59.89 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3470 days (HL = 0.4498 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.945 (BCF = 88.02)

Log BAF Arnot-Gobas method (upper trophic) = 1.945 (BAF = 88.03)

log Kow used: 3.20 (estimated)

Volatilization from Water:

Henry LC: 1.96E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 37.87 hours (1.578 days)

Half-Life from Model Lake : 516 hours (21.5 days)

Removal In Wastewater Treatment:

Total removal: 8.76 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 7.61 percent

Total to Air: 1.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.212 1.88 1000

Water 24.7 360 1000

Soil 74.7 720 1000

Sediment 0.392 3.24e+003 0

Persistence Time: 445 hr

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