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CAS Num: 008000-78-0


CHEM : Oils, garlic

MOL FOR: C6 H10 S2

MOL WT : 146.27

------------------------------ 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) = 3.56

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

Boiling Pt (deg C): 197.44 (Adapted Stein & Brown method)

Melting Pt (deg C): -24.44 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.965 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 129 (Mean VP of Antoine & Grain methods)

BP (exp database): 180-195 deg C

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

Water Solubility at 25 deg C (mg/L): 71.1

log Kow used: 3.56 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 33.9 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.09E-003 atm-m3/mole (2.12E+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: 2.612E-003 atm-m3/mole (2.647E+002 Pa-m3/mole)

VP: 0.965 mm Hg (source: MPBPVP)

WS: 71.1 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.56 (KowWin est)

Log Kaw used: -1.068 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.628

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) : 0.4130

Biowin6 (MITI Non-Linear Model): 0.3392

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4469

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.7155

BioHC Half-Life (days) : 5.1944

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

Vapor pressure (liquid/subcooled): 117 Pa (0.877 mm Hg)

Log Koa (Koawin est ): 4.628

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

Mackay model : 2.57E-008

Octanol/air (Koa) model: 1.04E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.27E-007

Mackay model : 2.05E-006

Octanol/air (Koa) model: 8.34E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 292.1704 E-12 cm3/molecule-sec

Half-Life = 0.037 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 26.358 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 2.400000 E-17 cm3/molecule-sec

Half-Life = 0.477 Days (at 7E11 mol/cm3)

Half-Life = 11.460 Hrs

Fraction sorbed to airborne particulates (phi):

1.49E-006 (Junge-Pankow, Mackay avg)

8.34E-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 : 1228 L/kg (Kow method)

Log Koc: 3.089 (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 = 0.679 (BCF = 4.772 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1750 days (HL = 0.6683 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.212 (BCF = 162.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.212 (BAF = 162.9)

log Kow used: 3.56 (estimated)

Volatilization from Water:

Henry LC: 0.00209 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.573 hours

Half-Life from Model Lake : 118.6 hours (4.94 days)

Removal In Wastewater Treatment:

Total removal: 51.65 percent

Total biodegradation: 0.13 percent

Total sludge adsorption: 11.39 percent

Total to Air: 40.13 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.287 0.816 1000

Water 25.7 360 1000

Soil 73.6 720 1000

Sediment 0.452 3.24e+003 0

Persistence Time: 255 hr

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