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: 101200-48-0
SMILES : COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c2nc(OC)nc(C)n2
CHEM : Tribenuron-methyl
MOL FOR: C15 H17 N5 O6 S1
MOL WT : 395.39
------------------------------ 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) = 2.55
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 572.17 (Adapted Stein & Brown method)
Melting Pt (deg C): 246.31 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.63E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 3.5E-009 (Modified Grain method)
MP (exp database): 141 deg C
VP (exp database): 3.90E-10 mm Hg (5.20E-008 Pa) at 25 deg C
Subcooled liquid VP: 5.47E-009 mm Hg (25 deg C, exp database VP )
: 7.3E-007 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 21.72
log Kow used: 2.55 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 50 mg/L (25 deg C)
Exper. Ref: TOMLIN,C (2003); pH 5
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 30.626 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Triazines, Aromatic
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.54E-012 atm-m3/mole (1.56E-007 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 1.02E-13 atm-m3/mole (1.03E-008 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: 6.300E-013 atm-m3/mole (6.383E-008 Pa-m3/mole)
VP: 2.63E-011 mm Hg (source: MPBPVP)
WS: 21.7 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.55 (KowWin est)
Log Kaw used: -11.380 (exp database)
Log Koa (KOAWIN v1.10 estimate): 13.930
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9296
Biowin2 (Non-Linear Model) : 0.1937
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0868 (months )
Biowin4 (Primary Survey Model) : 3.4573 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2672
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1155
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): 7.29E-007 Pa (5.47E-009 mm Hg)
Log Koa (Koawin est ): 13.930
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.11
Octanol/air (Koa) model: 20.9
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.993
Mackay model : 0.997
Octanol/air (Koa) model: 0.999
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 2.9579 E-12 cm3/molecule-sec
Half-Life = 3.616 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 43.392 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.995 (Junge-Pankow, Mackay avg)
0.999 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 94.69 L/kg (MCI method)
Log Koc: 1.976 (MCI method)
Koc : 204.1 L/kg (Kow method)
Log Koc: 2.310 (Kow method)
Experimental Log Koc: 1.72 (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 = 0.833 (BCF = 6.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.4004 days (HL = 0.003978 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.574 (BCF = 3.746)
Log BAF Arnot-Gobas method (upper trophic) = 0.574 (BAF = 3.746)
log Kow used: 2.55 (estimated)
Volatilization from Water:
Henry LC: 1.02E-013 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.141E+010 hours (4.756E+008 days)
Half-Life from Model Lake : 1.245E+011 hours (5.188E+009 days)
Removal In Wastewater Treatment:
Total removal: 3.25 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 3.14 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 0.000138 86.8 1000
Water 16.5 1.44e+003 1000
Soil 83.4 2.88e+003 1000
Sediment 0.111 1.3e+004 0
Persistence Time: 2.25e+003 hr