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CAS Num: 000075-18-3

SMILES : S(C)C

CHEM : Methane, thiobis-

MOL FOR: C2 H6 S1

MOL WT : 62.13

------------------------------ 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) = 0.92

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

Boiling Pt (deg C): 42.52 (Adapted Stein & Brown method)

Melting Pt (deg C): -107.65 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 479 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 6.38E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -98.3 deg C

BP (exp database): 37.3 deg C

VP (exp database): 5.02E+02 mm Hg (6.69E+004 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 2.249e+004

log Kow used: 0.92 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 2.2e+004 mg/L (25 deg C)

Exper. Ref: SUZUKI,T (1991)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 19986 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.86E-004 atm-m3/mole (7.96E+001 Pa-m3/mole)

Group Method: 1.90E-003 atm-m3/mole (1.92E+002 Pa-m3/mole)

Exper Database: 1.61E-03 atm-m3/mole (1.63E+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: 1.741E-003 atm-m3/mole (1.764E+002 Pa-m3/mole)

VP: 479 mm Hg (source: MPBPVP)

WS: 2.25E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.92 (KowWin est)

Log Kaw used: -1.182 (exp database)

Log Koa (KOAWIN v1.10 estimate): 2.102

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7180

Biowin2 (Non-Linear Model) : 0.8934

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0619 (weeks )

Biowin4 (Primary Survey Model) : 3.7581 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5281

Biowin6 (MITI Non-Linear Model): 0.6837

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6769

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.3624

BioHC Half-Life (days) : 2.3036

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

Vapor pressure (liquid/subcooled): 6.69E+004 Pa (502 mm Hg)

Log Koa (Koawin est ): 2.102

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

Mackay model : 4.48E-011

Octanol/air (Koa) model: 3.1E-011

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.62E-009

Mackay model : 3.59E-009

Octanol/air (Koa) model: 2.48E-009

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 3.8216 E-12 cm3/molecule-sec

Half-Life = 2.799 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 33.586 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

2.6E-009 (Junge-Pankow, Mackay avg)

2.48E-009 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 21.73 L/kg (MCI method)

Log Koc: 1.337 (MCI method)

Koc : 6.282 L/kg (Kow method)

Log Koc: 0.798 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9237 days (HL = 0.1192 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.209 (BCF = 1.617)

Log BAF Arnot-Gobas method (upper trophic) = 0.209 (BAF = 1.617)

log Kow used: 0.92 (estimated)

Volatilization from Water:

Henry LC: 0.00161 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.091 hours

Half-Life from Model Lake : 77.99 hours (3.25 days)

Removal In Wastewater Treatment:

Total removal: 40.59 percent

Total biodegradation: 0.06 percent

Total sludge adsorption: 1.19 percent

Total to Air: 39.34 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 24.2 53.3 1000

Water 49.3 360 1000

Soil 26.4 720 1000

Sediment 0.135 3.24e+003 0

Persistence Time: 138 hr

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