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CAS Number: 51338-27-3
SMILES : COC(=O)C(C)Oc2ccc(Oc1ccc(CL)cc1CL)cc2
CHEM : Diclofop-methyl
MOL FOR: C16 H14 CL2 O4
MOL WT : 341.19
------------------------------ 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) = 4.54
Log Kow (Exper. database match) = 4.62
Exper. Ref: KRAWCHUK,BP & WEBSTER,GRB (1987)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 397.74 (Adapted Stein & Brown method)
Melting Pt (deg C): 143.67 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.9E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00092 (Modified Grain method)
MP (exp database): 40 deg C
BP (exp database): 175-177 @ 0.1 mm Hg deg C
VP (exp database): 3.50E-06 mm Hg (4.67E-004 Pa) at 25 deg C
Subcooled liquid VP: 4.93E-006 mm Hg (25 deg C, exp database VP )
: 0.000657 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.7937
log Kow used: 4.62 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 0.8 mg/L (25 deg C)
Exper. Ref: USDA PEST PROP DATABASE
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.4748 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.56E-008 atm-m3/mole (8.68E-003 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 1.97E-06 atm-m3/mole (2.00E-001 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: 3.903E-006 atm-m3/mole (3.955E-001 Pa-m3/mole)
VP: 6.9E-006 mm Hg (source: MPBPVP)
WS: 0.794 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.62 (exp database)
Log Kaw used: -4.094 (exp database)
Log Koa (KOAWIN v1.10 estimate): 8.714
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6583
Biowin2 (Non-Linear Model) : 0.9375
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0559 (months )
Biowin4 (Primary Survey Model) : 3.4080 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4513
Biowin6 (MITI Non-Linear Model): 0.1311
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.4336
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): 0.000657 Pa (4.93E-006 mm Hg)
Log Koa (Koawin est ): 8.714
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00456
Octanol/air (Koa) model: 0.000127
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.142
Mackay model : 0.267
Octanol/air (Koa) model: 0.0101
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 18.9794 E-12 cm3/molecule-sec
Half-Life = 0.564 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.763 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.204 (Junge-Pankow, Mackay avg)
0.0101 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2590 L/kg (MCI method)
Log Koc: 3.413 (MCI method)
Koc : 3364 L/kg (Kow method)
Log Koc: 3.527 (Kow method)
Experimental Log Koc: 4.2 (database)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.266E-001 L/mol-sec
Kb Half-Life at pH 8: 63.341 days
Kb Half-Life at pH 7: 1.734 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.715 (BCF = 519.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1725 days (HL = 1.488 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.735 (BCF = 542.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.737 (BAF = 545.3)
log Kow used: 4.62 (expkow database)
Volatilization from Water:
Henry LC: 1.97E-006 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 550.9 hours (22.95 days)
Half-Life from Model Lake : 6164 hours (256.8 days)
Removal In Wastewater Treatment:
Total removal: 62.19 percent
Total biodegradation: 0.57 percent
Total sludge adsorption: 61.58 percent
Total to Air: 0.04 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.322 13.5 1000
Water 13.6 1.44e+003 1000
Soil 83.6 2.88e+003 1000
Sediment 2.49 1.3e+004 0
Persistence Time: 1.66e+003 hr