This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 76578-14-8
SMILES : n1c2ccc(CL)cc2ncc1Oc3ccc(OC(C)C(=O)OCC)cc3
CHEM : Quizalofop-Ethyl
MOL FOR: C19 H17 CL1 N2 O4
MOL WT : 372.81
------------------------------ 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) = 4.35
Log Kow (Exper. database match) = 4.28
Exper. Ref: TOMLIN,C (1994)
Log Kow (Exper. database match) = 4.28
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 472.42 (Adapted Stein & Brown method)
Melting Pt (deg C): 199.71 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.4E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 5.87E-006 (Modified Grain method)
MP (exp database): 76.5 deg C
BP (exp database): 220 @ 0.2 mm Hg deg C
VP (exp database): 6.49E-09 mm Hg (8.65E-007 Pa) at 20 deg C
Subcooled liquid VP: 2.1E-008 mm Hg (20 deg C, exp database VP )
: 2.8E-006 Pa (20 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.9961
log Kow used: 4.28 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 0.3 mg/L (20 deg C)
Exper. Ref: SHIU,WY ET AL. (1990)
Water Sol (Exper. database match) = 0.4 mg/L (20 deg C)
Exper. Ref: TOMLIN,C (1994)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.194 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.40E-011 atm-m3/mole (7.50E-006 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 1.06E-08 atm-m3/mole (1.07E-003 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: 2.167E-008 atm-m3/mole (2.196E-003 Pa-m3/mole)
VP: 4.4E-008 mm Hg (source: MPBPVP)
WS: 0.996 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.28 (exp database)
Log Kaw used: -6.363 (exp database)
Log Koa (KOAWIN v1.10 estimate): 10.643
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8256
Biowin2 (Non-Linear Model) : 0.9863
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1927 (months )
Biowin4 (Primary Survey Model) : 3.5277 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4087
Biowin6 (MITI Non-Linear Model): 0.1156
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1008
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): 2.8E-006 Pa (2.1E-008 mm Hg)
Log Koa (Koawin est ): 10.643
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.07
Octanol/air (Koa) model: 0.0108
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.975
Mackay model : 0.988
Octanol/air (Koa) model: 0.463
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 28.4414 E-12 cm3/molecule-sec
Half-Life = 0.376 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.513 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.982 (Junge-Pankow, Mackay avg)
0.463 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 7736 L/kg (MCI method)
Log Koc: 3.889 (MCI method)
Koc : 5460 L/kg (Kow method)
Log Koc: 3.737 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.196E-001 L/mol-sec
Kb Half-Life at pH 8: 67.063 days
Kb Half-Life at pH 7: 1.836 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.491 (BCF = 309.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.8284 days (HL = 0.1485 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.791 (BCF = 61.84)
Log BAF Arnot-Gobas method (upper trophic) = 1.791 (BAF = 61.84)
log Kow used: 4.28 (expkow database)
Volatilization from Water:
Henry LC: 1.06E-008 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.066E+005 hours (4444 days)
Half-Life from Model Lake : 1.164E+006 hours (4.848E+004 days)
Removal In Wastewater Treatment:
Total removal: 44.19 percent
Total biodegradation: 0.43 percent
Total sludge adsorption: 43.76 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 0.0487 9.03 1000
Water 9.12 1.44e+003 1000
Soil 85.5 2.88e+003 1000
Sediment 5.31 1.3e+004 0
Persistence Time: 2.58e+003 hr