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CAS Number: 144740-53-4
SMILES : c2(C(F)(F)F)nc(c(cc2)C(=O)(OC))S(NC(=O)(Nc1nc(OC)cc(n1)OC))(=O)=O
CHEM : FLUPYRSULFURON-METHYL
MOL FOR: C15 H14 F3 N5 O7 S1
MOL WT : 465.36
------------------------------ 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) = 1.47
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 577.10 (Adapted Stein & Brown method)
Melting Pt (deg C): 248.61 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.08E-012 (Modified Grain method)
VP (Pa, 25 deg C) : 1.44E-010 (Modified Grain method)
Subcooled liquid VP: 2.91E-010 mm Hg (25 deg C, Mod-Grain method)
: 3.88E-008 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 66.7
log Kow used: 1.47 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.2201 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Amides
Sulfonyl Ureas
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.93E-014 atm-m3/mole (3.98E-009 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 9.915E-015 atm-m3/mole (1.005E-009 Pa-m3/mole)
VP: 1.08E-012 mm Hg (source: MPBPVP)
WS: 66.7 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.47 (KowWin est)
Log Kaw used: -11.794 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 13.264
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2890
Biowin2 (Non-Linear Model) : 0.0886
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.4676 (recalcitrant)
Biowin4 (Primary Survey Model) : 3.2664 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1064
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.4800
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): 3.88E-008 Pa (2.91E-010 mm Hg)
Log Koa (Koawin est ): 13.264
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 77.3
Octanol/air (Koa) model: 4.51
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 0.997
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 201.8768 E-12 cm3/molecule-sec
Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.636 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
0.997 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 53.15 L/kg (MCI method)
Log Koc: 1.726 (MCI method)
Koc : 308.2 L/kg (Kow method)
Log Koc: 2.489 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.998E-002 L/mol-sec
Kb Half-Life at pH 8: 200.670 days
Kb Half-Life at pH 7: 5.494 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.634 (BCF = 4.307 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -3.1623 days (HL = 0.0006881 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.160 (BCF = 1.445)
Log BAF Arnot-Gobas method (upper trophic) = 0.160 (BAF = 1.445)
log Kow used: 1.47 (estimated)
Volatilization from Water:
Henry LC: 3.93E-014 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.214E+010 hours (1.339E+009 days)
Half-Life from Model Lake : 3.506E+011 hours (1.461E+010 days)
Removal In Wastewater Treatment:
Total removal: 1.96 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.87 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 0.000802 1.27 1000
Water 20.5 4.32e+003 1000
Soil 79.4 8.64e+003 1000
Sediment 0.0964 3.89e+004 0
Persistence Time: 3.27e+003 hr