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CAS Number: 34256-82-1
SMILES : Cc1cccc(CC)c1N(C(=O)CCL)COCC
CHEM : Acetochlor
MOL FOR: C14 H20 CL1 N1 O2
MOL WT : 269.77
------------------------------ 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) = 3.37
Log Kow (Exper. database match) = 3.03
Exper. Ref: TOMLIN,C (1994)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 378.17 (Adapted Stein & Brown method)
Melting Pt (deg C): 128.45 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.8E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00374 (Modified Grain method)
MP (exp database): < 0 deg C
BP (exp database): 162 @ 7 mm Hg deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 47.36
log Kow used: 3.03 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 223 mg/L (25 deg C)
Exper. Ref: SHIU,WY ET AL. (1990)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 444.62 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Haloacetamides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.23E-008 atm-m3/mole (2.26E-003 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: 2.099E-007 atm-m3/mole (2.126E-002 Pa-m3/mole)
VP: 2.8E-005 mm Hg (source: MPBPVP)
WS: 47.4 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.03 (exp database)
Log Kaw used: -6.040 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.070
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4799
Biowin2 (Non-Linear Model) : 0.0946
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2172 (months )
Biowin4 (Primary Survey Model) : 3.4165 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1982
Biowin6 (MITI Non-Linear Model): 0.0372
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.8647
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): 0.00373 Pa (2.8E-005 mm Hg)
Log Koa (Koawin est ): 9.070
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000804
Octanol/air (Koa) model: 0.000288
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0282
Mackay model : 0.0604
Octanol/air (Koa) model: 0.0226
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 49.5801 E-12 cm3/molecule-sec
Half-Life = 0.216 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.589 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0443 (Junge-Pankow, Mackay avg)
0.0226 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 298.4 L/kg (MCI method)
Log Koc: 2.475 (MCI method)
Koc : 290.6 L/kg (Kow method)
Log Koc: 2.463 (Kow method)
Experimental Log Koc: 2.32 (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 = 1.666 (BCF = 46.37 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.6887 days (HL = 0.2048 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.681 (BCF = 47.99)
Log BAF Arnot-Gobas method (upper trophic) = 1.681 (BAF = 47.99)
log Kow used: 3.03 (expkow database)
Volatilization from Water:
Henry LC: 2.23E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4.312E+004 hours (1797 days)
Half-Life from Model Lake : 4.706E+005 hours (1.961E+004 days)
Removal In Wastewater Treatment:
Total removal: 5.95 percent
Total biodegradation: 0.13 percent
Total sludge adsorption: 5.83 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 0.0667 5.18 1000
Water 13.9 1.44e+003 1000
Soil 85.8 2.88e+003 1000
Sediment 0.253 1.3e+004 0
Persistence Time: 1.97e+003 hr