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CAS Number: 33368-82-0


CHEM : 3-prop-1-enyldisulfanylprop-1-ene

MOL FOR: C6 H10 S2

MOL WT : 146.27

------------------------------ 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) = 3.49

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

Boiling Pt (deg C): 205.03 (Adapted Stein & Brown method)

Melting Pt (deg C): -23.88 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.28 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 37.4 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 82.99

log Kow used: 3.49 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 72.481 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.00E-003 atm-m3/mole (7.10E+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: 6.493E-004 atm-m3/mole (6.579E+001 Pa-m3/mole)

VP: 0.28 mm Hg (source: MPBPVP)

WS: 83 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.49 (KowWin est)

Log Kaw used: -0.543 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.033

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6779

Biowin2 (Non-Linear Model) : 0.7174

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8759 (weeks )

Biowin4 (Primary Survey Model) : 3.6367 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3578

Biowin6 (MITI Non-Linear Model): 0.2487

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4149

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.5589

BioHC Half-Life (days) : 3.6215

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

Vapor pressure (liquid/subcooled): 34.3 Pa (0.257 mm Hg)

Log Koa (Koawin est ): 4.033

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

Mackay model : 8.75E-008

Octanol/air (Koa) model: 2.65E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.16E-006

Mackay model : 7E-006

Octanol/air (Koa) model: 2.12E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 315.1212 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 322.7212 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 24.439 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 23.863 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.768750 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 2.337500 E-17 cm3/molecule-sec [Trans-]

Half-Life = 932.997 Min (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 705.984 Min (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

5.08E-006 (Junge-Pankow, Mackay avg)

2.12E-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 : 1068 L/kg (Kow method)

Log Koc: 3.029 (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 = 0.627 (BCF = 4.235 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0771 days (HL = 0.8373 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.227 (BCF = 168.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.227 (BAF = 168.5)

log Kow used: 3.49 (estimated)

Volatilization from Water:

Henry LC: 0.007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.335 hours

Half-Life from Model Lake : 116 hours (4.832 days)

Removal In Wastewater Treatment:

Total removal: 75.18 percent

Total biodegradation: 0.08 percent

Total sludge adsorption: 8.39 percent

Total to Air: 66.71 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.513 0.774 1000

Water 40.1 360 1000

Soil 58.7 720 1000

Sediment 0.705 3.24e+003 0

Persistence Time: 157 hr

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