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CAS Number: 83066-88-0
SMILES : n1cc(C(F)(F)F)ccc1Oc2ccc(OC(C)C(=O)O)cc2
CHEM : Fluazifop-P
MOL FOR: C15 H12 F3 N1 O4
MOL WT : 327.26
------------------------------ 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) = 3.58
Log Kow (Exper. database match) = 3.18
Exper. Ref: COMER,J ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 402.25 (Adapted Stein & Brown method)
Melting Pt (deg C): 162.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.81E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 3.74E-005 (Modified Grain method)
Subcooled liquid VP: 7.33E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000977 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 40.52
log Kow used: 3.18 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 316.35 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.05E-011 atm-m3/mole (5.12E-006 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: 2.986E-009 atm-m3/mole (3.026E-004 Pa-m3/mole)
VP: 2.81E-007 mm Hg (source: MPBPVP)
WS: 40.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.18 (exp database)
Log Kaw used: -8.685 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.865
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2533
Biowin2 (Non-Linear Model) : 0.0217
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.9972 (months )
Biowin4 (Primary Survey Model) : 3.6222 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3361
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.1065
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): 0.000977 Pa (7.33E-006 mm Hg)
Log Koa (Koawin est ): 11.865
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00307
Octanol/air (Koa) model: 0.18
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0998
Mackay model : 0.197
Octanol/air (Koa) model: 0.935
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 31.2545 E-12 cm3/molecule-sec
Half-Life = 0.342 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.107 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.148 (Junge-Pankow, Mackay avg)
0.935 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 820.9 L/kg (MCI method)
Log Koc: 2.914 (MCI method)
Koc : 159.5 L/kg (Kow method)
Log Koc: 2.203 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0707 days (HL = 1.177 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.083 (BCF = 121)
Log BAF Arnot-Gobas method (upper trophic) = 2.083 (BAF = 121)
log Kow used: 3.18 (expkow database)
Volatilization from Water:
Henry LC: 5.05E-011 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.097E+007 hours (8.739E+005 days)
Half-Life from Model Lake : 2.288E+008 hours (9.533E+006 days)
Removal In Wastewater Treatment:
Total removal: 7.55 percent
Total biodegradation: 0.14 percent
Total sludge adsorption: 7.41 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 0.000282 8.21 1000
Water 9.64 1.44e+003 1000
Soil 89.9 2.88e+003 1000
Sediment 0.504 1.3e+004 0
Persistence Time: 2.78e+003 hr