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CAS Number: 65731-84-2
SMILES : CLC(CL)=CC1C(C)(C)C1C(=O)OC(C(#N))c2cccc(Oc3ccccc3)c2
CHEM : beta-Cypermethrin isomer
MOL FOR: C22 H19 CL2 N1 O3
MOL WT : 416.31
------------------------------ 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) = 6.38
Log Kow (Exper. database match) = 6.60
Exper. Ref: TOMLIN,C (1997)
Log Kow (Exper. database match) = 6.05
Exper. Ref: SANGSTER (1993)
Log Kow (Exper. database match) = 6.06
Exper. Ref: SANGSTER (1993)
Log Kow (Exper. database match) = 6.94
Exper. Ref: TOMLIN,C (1997)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 450.48 (Adapted Stein & Brown method)
Melting Pt (deg C): 82.07 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.3E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 1.74E-005 (Modified Grain method)
MP (exp database): 84 deg C
BP (exp database): 200 @ 0.07 mm Hg deg C
VP (exp database): 1.30E-03 mm Hg (1.73E-001 Pa) at 20 deg C
Subcooled liquid VP: 0.00498 mm Hg (20 deg C, exp database VP )
: 0.664 Pa (20 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.001559
log Kow used: 6.94 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 0.004 mg/L (20 deg C)
Exper. Ref: WAUCHOPE,RD ET AL. (1991A)
Water Sol (Exper. database match) = 0.01 mg/L (25 deg C)
Exper. Ref: TOMLIN,C (1997)
Water Sol (Exper. database match) = 0.115 mg/L (25 deg C)
Exper. Ref: TOMLIN,C (2003); pH7
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.016524 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 : 7.89E-007 atm-m3/mole (8.00E-002 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 4.20E-07 atm-m3/mole (4.26E-002 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: 4.568E-005 atm-m3/mole (4.628E+000 Pa-m3/mole)
VP: 1.3E-007 mm Hg (source: MPBPVP)
WS: 0.00156 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.94 (exp database)
Log Kaw used: -4.765 (exp database)
Log Koa (KOAWIN v1.10 estimate): 11.705
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8838
Biowin2 (Non-Linear Model) : 0.9883
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.7424 (recalcitrant)
Biowin4 (Primary Survey Model) : 3.1382 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2501
Biowin6 (MITI Non-Linear Model): 0.0054
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0610
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): 0.664 Pa (0.00498 mm Hg)
Log Koa (Koawin est ): 11.705
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.52E-006
Octanol/air (Koa) model: 0.124
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000163
Mackay model : 0.000361
Octanol/air (Koa) model: 0.909
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 21.4274 E-12 cm3/molecule-sec
Half-Life = 0.499 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.990 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):
0.000262 (Junge-Pankow, Mackay avg)
0.909 (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 : 1.401E+005 L/kg (Kow method)
Log Koc: 5.146 (Kow method)
Experimental Log Koc: 5 (database)
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 = 2.987 (BCF = 970.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3658 days (HL = 2.322 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.850 (BCF = 707.8)
Log BAF Arnot-Gobas method (upper trophic) = 3.816 (BAF = 6542)
log Kow used: 6.94 (expkow database)
Volatilization from Water:
Henry LC: 4.2E-007 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 2846 hours (118.6 days)
Half-Life from Model Lake : 3.122E+004 hours (1301 days)
Removal In Wastewater Treatment:
Total removal: 93.82 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.04 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 0.0537 11.9 1000
Water 3.53 4.32e+003 1000
Soil 73.3 8.64e+003 1000
Sediment 23.2 3.89e+004 0
Persistence Time: 6.89e+003 hr