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CAS Num: 038205-64-0

SMILES : O(c(sc(n1)C)c1)C

CHEM : Thiazole, 5-methoxy-2-methyl-

MOL FOR: C5 H7 N1 O1 S1

MOL WT : 129.18

------------------------------ 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) = 1.62

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

Boiling Pt (deg C): 190.76 (Adapted Stein & Brown method)

Melting Pt (deg C): 19.76 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.57 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 76 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 3822

log Kow used: 1.62 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5652.8 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.50E-007 atm-m3/mole (2.53E-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: 2.535E-005 atm-m3/mole (2.569E+000 Pa-m3/mole)

VP: 0.57 mm Hg (source: MPBPVP)

WS: 3.82E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.62 (KowWin est)

Log Kaw used: -4.991 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.611

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8726

Biowin2 (Non-Linear Model) : 0.9820

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7807 (weeks )

Biowin4 (Primary Survey Model) : 3.6700 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5732

Biowin6 (MITI Non-Linear Model): 0.6378

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4673

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 69.3 Pa (0.52 mm Hg)

Log Koa (Koawin est ): 6.611

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

Mackay model : 4.33E-008

Octanol/air (Koa) model: 1E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.56E-006

Mackay model : 3.46E-006

Octanol/air (Koa) model: 8.02E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.8929 E-12 cm3/molecule-sec

Half-Life = 0.538 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.452 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.51E-006 (Junge-Pankow, Mackay avg)

8.02E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 82.23 L/kg (MCI method)

Log Koc: 1.915 (MCI method)

Koc : 75.35 L/kg (Kow method)

Log Koc: 1.877 (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 = 0.737 (BCF = 5.453 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2778 days (HL = 0.05274 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.552 (BCF = 3.567)

Log BAF Arnot-Gobas method (upper trophic) = 0.552 (BAF = 3.567)

log Kow used: 1.62 (estimated)

Volatilization from Water:

Henry LC: 2.5E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2663 hours (111 days)

Half-Life from Model Lake : 2.915E+004 hours (1214 days)

Removal In Wastewater Treatment:

Total removal: 2.03 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.92 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.949 12.9 1000

Water 26.9 360 1000

Soil 72 720 1000

Sediment 0.139 3.24e+003 0

Persistence Time: 480 hr

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