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CAS Num: 000625-80-9


CHEM : Propane, 2,2 -thiobis-

MOL FOR: C6 H14 S1

MOL WT : 118.24

------------------------------ 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) = 2.74

Log Kow (Exper. database match) = 2.84

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

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

Boiling Pt (deg C): 111.93 (Adapted Stein & Brown method)

Melting Pt (deg C): -79.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 15.6 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2.08E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): -78.1 deg C

BP (exp database): 120.1 deg C

VP (exp database): 1.92E+01 mm Hg (2.56E+003 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 382.5

log Kow used: 2.84 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 759.61 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.44E-003 atm-m3/mole (2.47E+002 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 3.30E-03 atm-m3/mole (3.34E+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: 6.345E-003 atm-m3/mole (6.429E+002 Pa-m3/mole)

VP: 15.6 mm Hg (source: MPBPVP)

WS: 383 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.84 (exp database)

Log Kaw used: -0.870 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.710

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6913

Biowin2 (Non-Linear Model) : 0.7908

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9379 (weeks )

Biowin4 (Primary Survey Model) : 3.6771 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2607

Biowin6 (MITI Non-Linear Model): 0.2671

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1861

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.7506

BioHC Half-Life (days) : 5.6313

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

Vapor pressure (liquid/subcooled): 2.56E+003 Pa (19.2 mm Hg)

Log Koa (Koawin est ): 3.710

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

Mackay model : 1.17E-009

Octanol/air (Koa) model: 1.26E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.23E-008

Mackay model : 9.37E-008

Octanol/air (Koa) model: 1.01E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 32.6331 E-12 cm3/molecule-sec

Half-Life = 0.328 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.933 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

6.8E-008 (Junge-Pankow, Mackay avg)

1.01E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 169.6 L/kg (MCI method)

Log Koc: 2.229 (MCI method)

Koc : 291.4 L/kg (Kow method)

Log Koc: 2.464 (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 = 1.541 (BCF = 34.74 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3695 days (HL = 0.4271 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.711 (BCF = 51.38)

Log BAF Arnot-Gobas method (upper trophic) = 1.711 (BAF = 51.38)

log Kow used: 2.84 (expkow database)

Volatilization from Water:

Henry LC: 0.0033 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.303 hours

Half-Life from Model Lake : 105.4 hours (4.391 days)

Removal In Wastewater Treatment:

Total removal: 57.99 percent

Total biodegradation: 0.06 percent

Total sludge adsorption: 2.97 percent

Total to Air: 54.96 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4.86 7.87 1000

Water 41.8 360 1000

Soil 53 720 1000

Sediment 0.353 3.24e+003 0

Persistence Time: 154 hr

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