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CAS Number: 79241-46-6
SMILES : n1cc(C(F)(F)F)ccc1Oc2ccc(OC(C)C(=O)OCCCC)cc2
CHEM : Fluazifop-P-butyl
MOL FOR: C19 H20 F3 N1 O4
MOL WT : 383.37
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 5.34
Log Kow (Exper. database match) = 4.50
Exper. Ref: TOMLIN,C (1994)
Log Kow (Exper. database match) = 4.50
Exper. Ref: TOMLIN,C (1997)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 404.01 (Adapted Stein & Brown method)
Melting Pt (deg C): 149.02 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.64E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000886 (Modified Grain method)
MP (exp database): 5 deg C
BP (exp database): 154 @ 0.02 mm Hg deg C
VP (exp database): 2.48E-07 mm Hg (3.31E-005 Pa) at 20 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.5568
log Kow used: 4.50 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1 mg/L (25 deg C)
Exper. Ref: TOMLIN,C (1994); pH 6.5
Water Sol (Exper. database match) = 2 mg/L (20 deg C)
Exper. Ref: USDA PESTICIDE PROPERTIES DATABASE
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.0753 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.79E-008 atm-m3/mole (3.84E-003 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 2.08E-07 atm-m3/mole (2.11E-002 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 6.016E-006 atm-m3/mole (6.095E-001 Pa-m3/mole)
VP: 6.64E-006 mm Hg (source: MPBPVP)
WS: 0.557 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.50 (exp database)
Log Kaw used: -5.070 (exp database)
Log Koa (KOAWIN v1.10 estimate): 9.570
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4365
Biowin2 (Non-Linear Model) : 0.6631
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.9472 (months )
Biowin4 (Primary Survey Model) : 3.6538 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4804
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7723
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): 3.31E-005 Pa (2.48E-007 mm Hg)
Log Koa (Koawin est ): 9.570
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0907
Octanol/air (Koa) model: 0.000912
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.766
Mackay model : 0.879
Octanol/air (Koa) model: 0.068
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 30.0948 E-12 cm3/molecule-sec
Half-Life = 0.355 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.265 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.823 (Junge-Pankow, Mackay avg)
0.068 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.017E+004 L/kg (MCI method)
Log Koc: 4.305 (MCI method)
Koc : 4333 L/kg (Kow method)
Log Koc: 3.637 (Kow method)
Experimental Log Koc: 3.76 (database)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.015E-001 L/mol-sec
Kb Half-Life at pH 8: 79.028 days
Kb Half-Life at pH 7: 2.164 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.636 (BCF = 432.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4565 days (HL = 0.3495 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.153 (BCF = 142.1)
Log BAF Arnot-Gobas method (upper trophic) = 2.153 (BAF = 142.2)
log Kow used: 4.50 (expkow database)
Volatilization from Water:
Henry LC: 2.08E-007 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 5513 hours (229.7 days)
Half-Life from Model Lake : 6.031E+004 hours (2513 days)
Removal In Wastewater Treatment:
Total removal: 56.03 percent
Total biodegradation: 0.52 percent
Total sludge adsorption: 55.51 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 0.154 8.53 1000
Water 10.2 1.44e+003 1000
Soil 73.9 2.88e+003 1000
Sediment 15.7 1.3e+004 0
Persistence Time: 2.08e+003 hr