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CAS Number: 79-07-2

SMILES : O=C(N)CCL

CHEM : Acetamide, 2-chloro-

MOL FOR: C2 H4 CL1 N1 O1

MOL WT : 93.51

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = -0.58

Log Kow (Exper. database match) = -0.53

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

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

Boiling Pt (deg C): 230.18 (Adapted Stein & Brown method)

Melting Pt (deg C): 41.60 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0106 (Modified Grain method)

VP (Pa, 25 deg C) : 1.41 (Modified Grain method)

MP (exp database): 121 deg C

BP (exp database): 225 deg C

Subcooled liquid VP: 0.0949 mm Hg (25 deg C, Mod-Grain method)

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

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 3.457e+005

log Kow used: -0.53 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 9e+004 mg/L (24 deg C)

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

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.2069e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Haloacetamides

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

Bond Method : 3.94E-009 atm-m3/mole (3.99E-004 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: 3.773E-009 atm-m3/mole (3.823E-004 Pa-m3/mole)

VP: 0.0106 mm Hg (source: MPBPVP)

WS: 3.46E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.53 (exp database)

Log Kaw used: -6.793 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.263

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8018

Biowin2 (Non-Linear Model) : 0.9255

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7651 (weeks )

Biowin4 (Primary Survey Model) : 3.8176 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6111

Biowin6 (MITI Non-Linear Model): 0.6230

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2795

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 12.7 Pa (0.0949 mm Hg)

Log Koa (Koawin est ): 6.263

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

Mackay model : 2.37E-007

Octanol/air (Koa) model: 4.5E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.56E-006

Mackay model : 1.9E-005

Octanol/air (Koa) model: 3.6E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 2.2662 E-12 cm3/molecule-sec

Half-Life = 4.720 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 56.638 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.38E-005 (Junge-Pankow, Mackay avg)

3.6E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.694 L/kg (MCI method)

Log Koc: 0.755 (MCI method)

Koc : 4.248 L/kg (Kow method)

Log Koc: 0.628 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.1500 days (HL = 0.007079 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.9)

Log BAF Arnot-Gobas method (upper trophic) = -0.046 (BAF = 0.9)

log Kow used: -0.53 (expkow database)

Volatilization from Water:

Henry LC: 3.94E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.437E+005 hours (5987 days)

Half-Life from Model Lake : 1.568E+006 hours (6.532E+004 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 0.0857 113 1000

Water 33.4 360 1000

Soil 66.4 720 1000

Sediment 0.0692 3.24e+003 0

Persistence Time: 613 hr

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