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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:
Esters
Vinyl/Allyl Halides
Benzyl Nitriles
Nitrile Esters
Pyrethroids
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