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CAS Number: 41803-21-8


CHEM : 2-ethyl-4-methyl-2,5-dihydrothiazole

MOL FOR: C6 H11 N1 S1

MOL WT : 129.22

------------------------------ 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) = 3.23

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

Boiling Pt (deg C): 181.40 (Adapted Stein & Brown method)

Melting Pt (deg C): 24.82 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.902 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 120 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 160.2

log Kow used: 3.23 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 148.16 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-002 atm-m3/mole (2.53E+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: 9.573E-004 atm-m3/mole (9.700E+001 Pa-m3/mole)

VP: 0.902 mm Hg (source: MPBPVP)

WS: 160 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.23 (KowWin est)

Log Kaw used: 0.009 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.221

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6860

Biowin2 (Non-Linear Model) : 0.7638

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9136 (weeks )

Biowin4 (Primary Survey Model) : 3.6613 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4101

Biowin6 (MITI Non-Linear Model): 0.3477

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6224

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): 109 Pa (0.82 mm Hg)

Log Koa (Koawin est ): 3.221

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

Mackay model : 2.74E-008

Octanol/air (Koa) model: 4.08E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.91E-007

Mackay model : 2.2E-006

Octanol/air (Koa) model: 3.27E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 20.8302 E-12 cm3/molecule-sec

Half-Life = 0.513 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.162 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

1.59E-006 (Junge-Pankow, Mackay avg)

3.27E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 392.8 L/kg (MCI method)

Log Koc: 2.594 (MCI method)

Koc : 635.2 L/kg (Kow method)

Log Koc: 2.803 (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 = 1.801 (BCF = 63.21 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2512 days (HL = 0.5607 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.008 (BCF = 101.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.008 (BAF = 101.9)

log Kow used: 3.23 (estimated)

Volatilization from Water:

Henry LC: 0.025 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.187 hours

Half-Life from Model Lake : 108.3 hours (4.511 days)

Removal In Wastewater Treatment:

Total removal: 90.94 percent

Total biodegradation: 0.04 percent

Total sludge adsorption: 4.39 percent

Total to Air: 86.51 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 11.4 12.3 1000

Water 59.2 360 1000

Soil 28.4 720 1000

Sediment 0.956 3.24e+003 0

Persistence Time: 104 hr

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