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: 42874-03-3
SMILES : CLc1cc(C(F)(F)F)ccc1Oc2cc(OCC)c(N(=O)(=O))cc2
CHEM : Oxyfluorfen
MOL FOR: C15 H11 CL1 F3 N1 O4
MOL WT : 361.71
------------------------------ 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) = 5.21
Log Kow (Exper. database match) = 4.73
Exper. Ref: NANDIHALLI,UB ET AL. (1993)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 395.75 (Adapted Stein & Brown method)
Melting Pt (deg C): 156.08 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.3E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00306 (Modified Grain method)
MP (exp database): 84 deg C
BP (exp database): 358.2 deg C
VP (exp database): 2.00E-07 mm Hg (2.67E-005 Pa) at 25 deg C
Subcooled liquid VP: 7.67E-007 mm Hg (25 deg C, exp database VP )
: 0.000102 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.1958
log Kow used: 4.73 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 0.116 mg/L (25 deg C)
Exper. Ref: TOMLIN,C (1994)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.010126 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.35E-007 atm-m3/mole (2.38E-002 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 8.20E-07 atm-m3/mole (8.31E-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: 5.591E-005 atm-m3/mole (5.665E+000 Pa-m3/mole)
VP: 2.3E-005 mm Hg (source: MPBPVP)
WS: 0.196 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.73 (exp database)
Log Kaw used: -4.475 (exp database)
Log Koa (KOAWIN v1.10 estimate): 9.205
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.1687
Biowin2 (Non-Linear Model) : 0.0004
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.3945 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.9320 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0036
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0504
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): 0.000102 Pa (7.67E-007 mm Hg)
Log Koa (Koawin est ): 9.205
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0293
Octanol/air (Koa) model: 0.000394
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.514
Mackay model : 0.701
Octanol/air (Koa) model: 0.0305
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 11.5297 E-12 cm3/molecule-sec
Half-Life = 0.928 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 11.132 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.608 (Junge-Pankow, Mackay avg)
0.0305 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.99E+004 L/kg (MCI method)
Log Koc: 4.601 (MCI method)
Koc : 7453 L/kg (Kow method)
Log Koc: 3.872 (Kow method)
Experimental Log Koc: 5 (database)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.788 (BCF = 613.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8580 days (HL = 7.211 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.271 (BCF = 1868)
Log BAF Arnot-Gobas method (upper trophic) = 3.320 (BAF = 2088)
log Kow used: 4.73 (expkow database)
Volatilization from Water:
Henry LC: 8.2E-007 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1360 hours (56.66 days)
Half-Life from Model Lake : 1.499E+004 hours (624.8 days)
Removal In Wastewater Treatment:
Total removal: 67.35 percent
Total biodegradation: 0.60 percent
Total sludge adsorption: 66.73 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.127 22.3 1000
Water 4.31 4.32e+003 1000
Soil 75.1 8.64e+003 1000
Sediment 20.4 3.89e+004 0
Persistence Time: 5.87e+003 hr