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CAS Num: 076788-46-0


CHEM : Thiazole, 2-ethyl-2,5-dihydro-4,5-dimethyl-

MOL FOR: C7 H13 N1 S1

MOL WT : 143.25

------------------------------ 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) = 3.65

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

Boiling Pt (deg C): 195.90 (Adapted Stein & Brown method)

Melting Pt (deg C): 21.96 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.442 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 59 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 61.77

log Kow used: 3.65 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 49.72 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.32E-002 atm-m3/mole (3.36E+003 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: 1.349E-003 atm-m3/mole (1.367E+002 Pa-m3/mole)

VP: 0.442 mm Hg (source: MPBPVP)

WS: 61.8 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.65 (KowWin est)

Log Kaw used: 0.133 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.517

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6793

Biowin2 (Non-Linear Model) : 0.7260

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8826 (weeks )

Biowin4 (Primary Survey Model) : 3.6411 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3615

Biowin6 (MITI Non-Linear Model): 0.2009

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7023

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 53.9 Pa (0.404 mm Hg)

Log Koa (Koawin est ): 3.517

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

Mackay model : 5.57E-008

Octanol/air (Koa) model: 8.07E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.01E-006

Mackay model : 4.46E-006

Octanol/air (Koa) model: 6.46E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 27.1745 E-12 cm3/molecule-sec

Half-Life = 0.394 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.723 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

3.23E-006 (Junge-Pankow, Mackay avg)

6.46E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 643 L/kg (MCI method)

Log Koc: 2.808 (MCI method)

Koc : 1470 L/kg (Kow method)

Log Koc: 3.167 (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 = 2.076 (BCF = 119.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0026 days (HL = 1.006 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.349 (BCF = 223.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.349 (BAF = 223.4)

log Kow used: 3.65 (estimated)

Volatilization from Water:

Henry LC: 0.0332 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.242 hours

Half-Life from Model Lake : 113.9 hours (4.746 days)

Removal In Wastewater Treatment:

Total removal: 93.32 percent

Total biodegradation: 0.06 percent

Total sludge adsorption: 9.79 percent

Total to Air: 83.47 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 8.72 9.45 1000

Water 57.2 360 1000

Soil 32.7 720 1000

Sediment 1.39 3.24e+003 0

Persistence Time: 108 hr

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