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CAS Number: 369-77-7

SMILES : O=C(Nc(ccc(c1)CL)c1)Nc(ccc(c2C(F)(F)F)CL)c2

CHEM : Cloflucarban

MOL FOR: C14 H9 CL2 F3 N2 O1

MOL WT : 349.14

------------------------------ EPI SUMMARY (v4.10) --------------------------

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 v1.68 estimate) = 5.22

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

Boiling Pt (deg C): 419.29 (Adapted Stein & Brown method)

Melting Pt (deg C): 173.44 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.7E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 3.6E-006 (Modified Grain method)

MP (exp database): 214.5 deg C

Subcooled liquid VP: 2.81E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000375 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.2183

log Kow used: 5.22 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.002466 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Substituted Ureas


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

Bond Method : 5.30E-010 atm-m3/mole (5.37E-005 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: 5.682E-008 atm-m3/mole (5.757E-003 Pa-m3/mole)

VP: 2.7E-008 mm Hg (source: MPBPVP)

WS: 0.218 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.22 (KowWin est)

Log Kaw used: -7.664 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.884

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.3039

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.5015 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.7389 (weeks-months)

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.2046

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6365

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): 0.000375 Pa (2.81E-006 mm Hg)

Log Koa (Koawin est ): 12.884

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

Mackay model : 0.00801

Octanol/air (Koa) model: 1.88

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.224

Mackay model : 0.39

Octanol/air (Koa) model: 0.993

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 14.3397 E-12 cm3/molecule-sec

Half-Life = 0.746 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.951 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.307 (Junge-Pankow, Mackay avg)

0.993 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7869 L/kg (MCI method)

Log Koc: 3.896 (MCI method)

Koc : 5741 L/kg (Kow method)

Log Koc: 3.759 (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 v3.01):

Log BCF from regression-based method = 3.111 (BCF = 1292 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3215 days (HL = 2.096 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.905 (BCF = 804.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.921 (BAF = 834.1)

log Kow used: 5.22 (estimated)

Volatilization from Water:

Henry LC: 5.3E-010 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.064E+006 hours (8.601E+004 days)

Half-Life from Model Lake : 2.252E+007 hours (9.382E+005 days)

Removal In Wastewater Treatment:

Total removal: 83.55 percent

Total biodegradation: 0.72 percent

Total sludge adsorption: 82.84 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00181 17.9 1000

Water 3.82 4.32e+003 1000

Soil 92.8 8.64e+003 1000

Sediment 3.38 3.89e+004 0

Persistence Time: 8.27e+003 hr

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