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CAS Number: 120162-55-2
SMILES : n1c(OC)cc(OC)nc1NC(=O)NS(=O)(=O)c2n(C)ncc2c3nn(C)nn3
CHEM : Azimsulfuron
MOL FOR: C13 H16 N10 O5 S1
MOL WT : 424.40
------------------------------ 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) = -1.34
Log Kow (Exper. database match) = 0.65
Exper. Ref: TOMLIN,C (1997)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 643.46 (Adapted Stein & Brown method)
Melting Pt (deg C): 279.61 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.69E-013 (Modified Grain method)
VP (Pa, 25 deg C) : 2.26E-011 (Modified Grain method)
MP (exp database): 170 deg C
VP (exp database): 3.00E-11 mm Hg (4.00E-009 Pa) at 25 deg C
Subcooled liquid VP: 8.15E-010 mm Hg (25 deg C, exp database VP )
: 1.09E-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): 601.3
log Kow used: 0.65 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1050 mg/L (20 deg C)
Exper. Ref: TOMLIN,C (1997); pH 7
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 20183 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Sulfonyl Ureas
Pyrazoles/Pyrroles
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.75E-017 atm-m3/mole (3.80E-012 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: 1.569E-016 atm-m3/mole (1.590E-011 Pa-m3/mole)
VP: 1.69E-013 mm Hg (source: MPBPVP)
WS: 601 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.65 (exp database)
Log Kaw used: -14.814 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 15.464
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8093
Biowin2 (Non-Linear Model) : 0.8144
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1451 (months )
Biowin4 (Primary Survey Model) : 3.3897 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.1419
Biowin6 (MITI Non-Linear Model): 0.0012
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6830
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): 1.09E-007 Pa (8.15E-010 mm Hg)
Log Koa (Koawin est ): 15.464
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 27.6
Octanol/air (Koa) model: 714
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.999
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 202.9312 E-12 cm3/molecule-sec
Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.632 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.999 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 15.02 L/kg (MCI method)
Log Koc: 1.177 (MCI method)
Koc : 248.8 L/kg (Kow method)
Log Koc: 2.396 (Kow method)
Experimental Log Koc: 1.89 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.3061 days (HL = 0.004942 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.010 (BCF = 0.9767)
Log BAF Arnot-Gobas method (upper trophic) = -0.010 (BAF = 0.9767)
log Kow used: 0.65 (expkow database)
Volatilization from Water:
Henry LC: 3.75E-017 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.216E+013 hours (1.34E+012 days)
Half-Life from Model Lake : 3.509E+014 hours (1.462E+013 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 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 5.39e-006 1.27 1000
Water 33.2 1.44e+003 1000
Soil 66.7 2.88e+003 1000
Sediment 0.0886 1.3e+004 0
Persistence Time: 1.53e+003 hr