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CAS Number: 144651-06-9
SMILES : n1c(C)cc(C)nc1NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC3COC3
CHEM : Oxasulfuron
MOL FOR: C17 H18 N4 O6 S1
MOL WT : 406.42
------------------------------ 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) = 1.25
Log Kow (Exper. database match) = 1.10
Exper. Ref: WSSA (1998)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 585.13 (Adapted Stein & Brown method)
Melting Pt (deg C): 252.36 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.82E-012 (Modified Grain method)
VP (Pa, 25 deg C) : 1.04E-009 (Modified Grain method)
MP (exp database): 158 dec deg C
Subcooled liquid VP: 1.8E-010 mm Hg (25 deg C, Mod-Grain method)
: 2.4E-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): 321.3
log Kow used: 1.10 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 52 mg/L (25 deg C)
Exper. Ref: TOMLIN,C (1997); pH 5.1
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 49.108 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Oxetanes
Sulfonyl Ureas
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.20E-016 atm-m3/mole (3.25E-011 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: 1.302E-014 atm-m3/mole (1.319E-009 Pa-m3/mole)
VP: 7.82E-012 mm Hg (source: MPBPVP)
WS: 321 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.10 (exp database)
Log Kaw used: -13.883 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 14.983
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4902
Biowin2 (Non-Linear Model) : 0.2773
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2829 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3435 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0242
Biowin6 (MITI Non-Linear Model): 0.0049
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6706
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): 2.4E-008 Pa (1.8E-010 mm Hg)
Log Koa (Koawin est ): 14.983
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 125
Octanol/air (Koa) model: 236
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 = 41.1845 E-12 cm3/molecule-sec
Half-Life = 0.260 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.117 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 : 81.96 L/kg (MCI method)
Log Koc: 1.914 (MCI method)
Koc : 80.42 L/kg (Kow method)
Log Koc: 1.905 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.838E-002 L/mol-sec
Kb Half-Life at pH 8: 282.672 days
Kb Half-Life at pH 7: 7.739 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.393 (BCF = 2.47 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.9888 days (HL = 0.001026 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.064 (BCF = 1.159)
Log BAF Arnot-Gobas method (upper trophic) = 0.064 (BAF = 1.159)
log Kow used: 1.10 (expkow database)
Volatilization from Water:
Henry LC: 3.2E-016 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.689E+012 hours (1.537E+011 days)
Half-Life from Model Lake : 4.024E+013 hours (1.677E+012 days)
Removal In Wastewater Treatment:
Total removal: 1.90 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.80 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 1.81e-006 6.23 1000
Water 18.3 900 1000
Soil 81.6 1.8e+003 1000
Sediment 0.107 8.1e+003 0
Persistence Time: 1.57e+003 hr