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CAS Num: 000352-93-2


CHEM : Ethane, 1,1 -thiobis-

MOL FOR: C4 H10 S1

MOL WT : 90.18

------------------------------ 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) = 1.90

Log Kow (Exper. database match) = 1.95

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 92.92 (Adapted Stein & Brown method)

Melting Pt (deg C): -81.66 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 52.5 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 7E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): -103.9 deg C

BP (exp database): 92.1 deg C

VP (exp database): 6.02E+01 mm Hg (8.03E+003 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 2687

log Kow used: 1.95 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 3130 mg/L (20 deg C)

Exper. Ref: VALVANI,SC ET AL. (1981)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2446.3 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.38E-003 atm-m3/mole (1.40E+002 Pa-m3/mole)

Group Method: 2.08E-003 atm-m3/mole (2.11E+002 Pa-m3/mole)

Exper Database: 1.68E-03 atm-m3/mole (1.70E+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: 2.318E-003 atm-m3/mole (2.349E+002 Pa-m3/mole)

VP: 52.5 mm Hg (source: MPBPVP)

WS: 2.69E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.95 (exp database)

Log Kaw used: -1.163 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.113

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7046

Biowin2 (Non-Linear Model) : 0.8492

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9999 (weeks )

Biowin4 (Primary Survey Model) : 3.7176 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5435

Biowin6 (MITI Non-Linear Model): 0.6942

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7289

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.4952

BioHC Half-Life (days) : 3.1275

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

Vapor pressure (liquid/subcooled): 8.03E+003 Pa (60.2 mm Hg)

Log Koa (Koawin est ): 3.113

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

Mackay model : 3.74E-010

Octanol/air (Koa) model: 3.18E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.35E-008

Mackay model : 2.99E-008

Octanol/air (Koa) model: 2.55E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.6050 E-12 cm3/molecule-sec

Half-Life = 0.644 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.730 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

2.17E-008 (Junge-Pankow, Mackay avg)

2.55E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 72.17 L/kg (MCI method)

Log Koc: 1.858 (MCI method)

Koc : 49.2 L/kg (Kow method)

Log Koc: 1.692 (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 = 0.954 (BCF = 8.987 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6304 days (HL = 0.2342 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.946 (BCF = 8.823)

Log BAF Arnot-Gobas method (upper trophic) = 0.946 (BAF = 8.823)

log Kow used: 1.95 (expkow database)

Volatilization from Water:

Henry LC: 0.00168 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.3 hours

Half-Life from Model Lake : 93.81 hours (3.909 days)

Removal In Wastewater Treatment:

Total removal: 41.68 percent

Total biodegradation: 0.06 percent

Total sludge adsorption: 1.44 percent

Total to Air: 40.18 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 9.23 17.1 1000

Water 42.8 360 1000

Soil 47.7 720 1000

Sediment 0.204 3.24e+003 0

Persistence Time: 157 hr

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