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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)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0023788 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


Vinyl/Allyl Halides


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

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