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CAS Number: 3337-71-1

SMILES : COC(=O)NS(=O)(=O)c1ccc(N)cc1

CHEM : Asulam

MOL FOR: C8 H10 N2 O4 S1

MOL WT : 230.24

------------------------------ 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) = 0.05

Log Kow (Exper. database match) = -0.27

Exper. Ref: HANSCH,C ET AL. (1995)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 382.35 (Adapted Stein & Brown method)

Melting Pt (deg C): 142.46 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.39E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000185 (Modified Grain method)

MP (exp database): 144 deg C

Subcooled liquid VP: 2.22E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00296 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 2527

log Kow used: -0.27 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 5000 mg/L (22 deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 9911.4 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Anilines (Aromatic Amines)

Amides

Carbamate Esters

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.71E-012 atm-m3/mole (1.73E-007 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: 1.666E-010 atm-m3/mole (1.688E-005 Pa-m3/mole)

VP: 1.39E-006 mm Hg (source: MPBPVP)

WS: 2.53E+003 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: -0.27 (exp database)

Log Kaw used: -10.155 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.885

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4042

Biowin2 (Non-Linear Model) : 0.1027

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5554 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4072 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.0972

Biowin6 (MITI Non-Linear Model): 0.0078

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0970

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): 0.00296 Pa (2.22E-005 mm Hg)

Log Koa (Koawin est ): 9.885

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.00101

Octanol/air (Koa) model: 0.00188

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0353

Mackay model : 0.075

Octanol/air (Koa) model: 0.131

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 26.3672 E-12 cm3/molecule-sec

Half-Life = 0.406 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.868 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0552 (Junge-Pankow, Mackay avg)

0.131 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 27.8 L/kg (MCI method)

Log Koc: 1.444 (MCI method)

Koc : 6.809 L/kg (Kow method)

Log Koc: 0.833 (Kow method)

Experimental Log Koc: 1.6 (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) = -1.6165 days (HL = 0.02418 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.036 (BCF = 0.9212)

Log BAF Arnot-Gobas method (upper trophic) = -0.036 (BAF = 0.9212)

log Kow used: -0.27 (expkow database)

Volatilization from Water:

Henry LC: 1.71E-012 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.195E+008 hours (2.165E+007 days)

Half-Life from Model Lake : 5.668E+009 hours (2.361E+008 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 1.82e-005 9.74 1000

Water 26.3 900 1000

Soil 73.7 1.8e+003 1000

Sediment 0.0848 8.1e+003 0

Persistence Time: 1.34e+003 hr

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