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CAS Number: 52918-63-5

SMILES : CC1(C)C(C=C(Br)Br)C1C(=O)OC(C(#N))c3cccc(Oc2ccccc2)c3

CHEM : Decamethrin

MOL FOR: C22 H19 Br2 N1 O3

MOL WT : 505.21

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 6.18

Log Kow (Exper. database match) = 6.20

Exper. Ref: HANSCH,C ET AL. (1995)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 490.92 (Adapted Stein & Brown method)

Melting Pt (deg C): 139.52 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.67E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 1.16E-006 (Modified Grain method)

MP (exp database): 100 deg C

VP (exp database): 1.50E-08 mm Hg (2.00E-006 Pa) at 25 deg C

Subcooled liquid VP: 8.28E-008 mm Hg (25 deg C, exp database VP )

: 1.1E-005 Pa (25 deg C, exp database VP )

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.001827

log Kow used: 6.20 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 0.002 mg/L (25 deg C)

Exper. Ref: WORTHING,CR & WALKER,SB (1987)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.043274 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


Vinyl/Allyl Halides

Benzyl Nitriles

Nitrile Esters


Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 6.06E-008 atm-m3/mole (6.14E-003 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 4.99E-06 atm-m3/mole (5.06E-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: 3.155E-006 atm-m3/mole (3.196E-001 Pa-m3/mole)

VP: 8.67E-009 mm Hg (source: MPBPVP)

WS: 0.00183 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 6.20 (exp database)

Log Kaw used: -3.690 (exp database)

Log Koa (KOAWIN v1.10 estimate): 9.890

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9719

Biowin2 (Non-Linear Model) : 0.1188

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.9502 (months )

Biowin4 (Primary Survey Model) : 3.2819 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1770

Biowin6 (MITI Non-Linear Model): 0.0005

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8085

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): 1.1E-005 Pa (8.28E-008 mm Hg)

Log Koa (Koawin est ): 9.890

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.272

Octanol/air (Koa) model: 0.00191

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.908

Mackay model : 0.956

Octanol/air (Koa) model: 0.132

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 23.4695 E-12 cm3/molecule-sec

Half-Life = 0.456 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.469 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.022295 E-17 cm3/molecule-sec

Half-Life = 51.402 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

0.932 (Junge-Pankow, Mackay avg)

0.132 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7.975E+004 L/kg (MCI method)

Log Koc: 4.902 (MCI method)

Koc : 5.458E+004 L/kg (Kow method)

Log Koc: 4.737 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 6.124E-003 L/mol-sec

Kb Half-Life at pH 8: 3.587 years

Kb Half-Life at pH 7: 35.867 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.499 (BCF = 315.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2643 days (HL = 0.5441 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.994 (BCF = 987.3)

Log BAF Arnot-Gobas method (upper trophic) = 3.246 (BAF = 1762)

log Kow used: 6.20 (expkow database)

Volatilization from Water:

Henry LC: 4.99E-006 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 266 hours (11.08 days)

Half-Life from Model Lake : 3090 hours (128.8 days)

Removal In Wastewater Treatment:

Total removal: 92.84 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.07 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 0.119 10.8 1000

Water 6.28 1.44e+003 1000

Soil 60.3 2.88e+003 1000

Sediment 33.3 1.3e+004 0

Persistence Time: 2.85e+003 hr

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