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CAS Number: 52645-53-1
SMILES : CC1(C)C(C=C(CL)CL)C1C(=O)OCc3cccc(Oc2ccccc2)c3
CHEM : Permethrin
MOL FOR: C21 H20 CL2 O3
MOL WT : 391.30
------------------------------ 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) = 7.43
Log Kow (Exper. database match) = 6.50
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 437.64 (Adapted Stein & Brown method)
Melting Pt (deg C): 164.97 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 8.26E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00011 (Modified Grain method)
MP (exp database): 34 deg C
BP (exp database): 220 @ 0.05 mm Hg deg C
VP (exp database): 2.18E-08 mm Hg (2.91E-006 Pa) at 25 deg C
Subcooled liquid VP: 2.68E-008 mm Hg (25 deg C, exp database VP )
: 3.57E-006 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.009747
log Kow used: 6.50 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 0.006 mg/L (20 deg C)
Exper. Ref: USDA PESTICIDE PROPERTIES DATABASE
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0023788 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Vinyl/Allyl Halides
Pyrethroids
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.88E-007 atm-m3/mole (2.92E-002 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 1.87E-06 atm-m3/mole (1.89E-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: 4.363E-005 atm-m3/mole (4.421E+000 Pa-m3/mole)
VP: 8.26E-007 mm Hg (source: MPBPVP)
WS: 0.00975 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.50 (exp database)
Log Kaw used: -4.117 (exp database)
Log Koa (KOAWIN v1.10 estimate): 10.617
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5887
Biowin2 (Non-Linear Model) : 0.5375
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.8801 (months )
Biowin4 (Primary Survey Model) : 3.2395 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2070
Biowin6 (MITI Non-Linear Model): 0.0060
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0206
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): 3.57E-006 Pa (2.68E-008 mm Hg)
Log Koa (Koawin est ): 10.617
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.84
Octanol/air (Koa) model: 0.0102
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.968
Mackay model : 0.985
Octanol/air (Koa) model: 0.448
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 22.8850 E-12 cm3/molecule-sec
Half-Life = 0.467 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.609 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.023261 E-17 cm3/molecule-sec
Half-Life = 49.268 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
0.977 (Junge-Pankow, Mackay avg)
0.448 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.188E+005 L/kg (MCI method)
Log Koc: 5.075 (MCI method)
Koc : 3.242E+004 L/kg (Kow method)
Log Koc: 4.511 (Kow method)
Experimental Log Koc: 4.8 (database)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.021E-002 L/mol-sec
Kb Half-Life at pH 8: 199.518 days
Kb Half-Life at pH 7: 5.463 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.697 (BCF = 497.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2669 days (HL = 1.849 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.764 (BCF = 580.9)
Log BAF Arnot-Gobas method (upper trophic) = 3.024 (BAF = 1057)
log Kow used: 6.50 (expkow database)
Volatilization from Water:
Henry LC: 1.87E-006 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 621.4 hours (25.89 days)
Half-Life from Model Lake : 6944 hours (289.3 days)
Removal In Wastewater Treatment:
Total removal: 93.43 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 92.66 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 0.16 11.1 1000
Water 5.99 1.44e+003 1000
Soil 51.3 2.88e+003 1000
Sediment 42.6 1.3e+004 0
Persistence Time: 2.79e+003 hr