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CAS Number: 83055-99-6
SMILES : n1c(OC)cc(OC)nc1NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC
CHEM : Bensulfuron-methyl
MOL FOR: C16 H18 N4 O7 S1
MOL WT : 410.40
------------------------------ 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) = 1.41
Log Kow (Exper. database match) = 2.18
Exper. Ref: TOMLIN,C (2003)
Log Kow (Exper. database match) = 2.40
Exper. Ref: BIOBYTE STARLIST (2009)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 579.86 (Adapted Stein & Brown method)
Melting Pt (deg C): 249.90 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.99E-012 (Modified Grain method)
VP (Pa, 25 deg C) : 6.65E-010 (Modified Grain method)
MP (exp database): 187 deg C
VP (exp database): 2.10E-14 mm Hg (2.80E-012 Pa) at 25 deg C
Subcooled liquid VP: 8.4E-013 mm Hg (25 deg C, exp database VP )
: 1.12E-010 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 23.54
log Kow used: 2.40 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 120 mg/L (25 deg C)
Exper. Ref: WAUCHOPE,RD ET AL. (1991A)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 244.37 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Sulfonyl Ureas
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.59E-014 atm-m3/mole (3.63E-009 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 3.78E-15 atm-m3/mole (3.83E-010 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: 1.145E-013 atm-m3/mole (1.160E-008 Pa-m3/mole)
VP: 4.99E-012 mm Hg (source: MPBPVP)
WS: 23.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.40 (exp database)
Log Kaw used: -12.811 (exp database)
Log Koa (KOAWIN v1.10 estimate): 15.211
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9902
Biowin2 (Non-Linear Model) : 0.9968
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3162 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6388 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2120
Biowin6 (MITI Non-Linear Model): 0.0242
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6408
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): 1.12E-010 Pa (8.4E-013 mm Hg)
Log Koa (Koawin est ): 15.211
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.68E+004
Octanol/air (Koa) model: 399
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 210.1620 E-12 cm3/molecule-sec
Half-Life = 0.051 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.611 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 27.76 L/kg (MCI method)
Log Koc: 1.443 (MCI method)
Koc : 671.3 L/kg (Kow method)
Log Koc: 2.827 (Kow method)
Experimental Log Koc: 2.39 (database)
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 = 1.251 (BCF = 17.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.7031 days (HL = 0.001981 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.538 (BCF = 3.452)
Log BAF Arnot-Gobas method (upper trophic) = 0.538 (BAF = 3.452)
log Kow used: 2.40 (expkow database)
Volatilization from Water:
Henry LC: 3.78E-015 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 3.138E+011 hours (1.307E+010 days)
Half-Life from Model Lake : 3.423E+012 hours (1.426E+011 days)
Removal In Wastewater Treatment:
Total removal: 2.84 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.74 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 4.16e-005 1.22 1000
Water 26.3 900 1000
Soil 73.6 1.8e+003 1000
Sediment 0.0848 8.1e+003 0
Persistence Time: 1.34e+003 hr