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CAS Num: 000629-19-6

SMILES : S(SCCC)CCC

CHEM : Disulfide, dipropyl

MOL FOR: C6 H14 S2

MOL WT : 150.30

------------------------------ 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) = 3.84

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

Boiling Pt (deg C): 200.42 (Adapted Stein & Brown method)

Melting Pt (deg C): -21.81 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.498 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 66.4 (Mean VP of Antoine & Grain methods)

MP (exp database): -85.6 deg C

BP (exp database): 193.5 deg C

VP (exp database): 5.12E-01 mm Hg (6.83E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 39.94

log Kow used: 3.84 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 32.538 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.77E-003 atm-m3/mole (3.82E+002 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: 2.466E-003 atm-m3/mole (2.499E+002 Pa-m3/mole)

VP: 0.498 mm Hg (source: MPBPVP)

WS: 39.9 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.84 (KowWin est)

Log Kaw used: -0.812 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.652

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) : 0.4635

Biowin6 (MITI Non-Linear Model): 0.4859

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7809

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.6944

BioHC Half-Life (days) : 4.9477

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

Vapor pressure (liquid/subcooled): 68.3 Pa (0.512 mm Hg)

Log Koa (Koawin est ): 4.652

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

Mackay model : 4.39E-008

Octanol/air (Koa) model: 1.1E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.59E-006

Mackay model : 3.52E-006

Octanol/air (Koa) model: 8.81E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 245.5538 E-12 cm3/molecule-sec

Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.523 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.55E-006 (Junge-Pankow, Mackay avg)

8.81E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 436.8 L/kg (MCI method)

Log Koc: 2.640 (MCI method)

Koc : 2149 L/kg (Kow method)

Log Koc: 3.332 (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 = 0.859 (BCF = 7.223 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1560 days (HL = 0.6982 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.321 (BCF = 209.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.321 (BAF = 209.6)

log Kow used: 3.84 (estimated)

Volatilization from Water:

Henry LC: 0.00377 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.441 hours

Half-Life from Model Lake : 118.5 hours (4.938 days)

Removal In Wastewater Treatment:

Total removal: 66.29 percent

Total biodegradation: 0.15 percent

Total sludge adsorption: 17.40 percent

Total to Air: 48.74 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.495 1.05 1000

Water 31.3 360 1000

Soil 67.7 720 1000

Sediment 0.55 3.24e+003 0

Persistence Time: 204 hr

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