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CAS Number: 625-50-3

SMILES : O=C(NCC)C

CHEM : Acetamide, N-ethyl-

MOL FOR: C4 H9 N1 O1

MOL WT : 87.12

------------------------------ 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) = -0.21

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

Boiling Pt (deg C): 211.44 (Adapted Stein & Brown method)

Melting Pt (deg C): 31.67 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.225 (Modified Grain method)

VP (Pa, 25 deg C) : 30 (Modified Grain method)

BP (exp database): 205 deg C

Subcooled liquid VP: 0.258 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1.892e+005

log Kow used: -0.21 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 7.996e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Amides

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

Bond Method : 3.26E-008 atm-m3/mole (3.30E-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: 1.363E-007 atm-m3/mole (1.381E-002 Pa-m3/mole)

VP: 0.225 mm Hg (source: MPBPVP)

WS: 1.89E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.21 (KowWin est)

Log Kaw used: -5.875 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.665

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9162

Biowin2 (Non-Linear Model) : 0.9886

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9524 (weeks )

Biowin4 (Primary Survey Model) : 3.9275 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6298

Biowin6 (MITI Non-Linear Model): 0.7965

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1351

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): 34.4 Pa (0.258 mm Hg)

Log Koa (Koawin est ): 5.665

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

Mackay model : 8.72E-008

Octanol/air (Koa) model: 1.14E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.15E-006

Mackay model : 6.98E-006

Octanol/air (Koa) model: 9.08E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 9.5987 E-12 cm3/molecule-sec

Half-Life = 1.114 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 13.372 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.06E-006 (Junge-Pankow, Mackay avg)

9.08E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 6.359 L/kg (MCI method)

Log Koc: 0.803 (MCI method)

Koc : 6.072 L/kg (Kow method)

Log Koc: 0.783 (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) = -1.9043 days (HL = 0.01246 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.039 (BCF = 0.9151)

Log BAF Arnot-Gobas method (upper trophic) = -0.039 (BAF = 0.9151)

log Kow used: -0.21 (estimated)

Volatilization from Water:

Henry LC: 3.26E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.676E+004 hours (698.5 days)

Half-Life from Model Lake : 1.83E+005 hours (7623 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 0.563 26.7 1000

Water 34.7 360 1000

Soil 64.7 720 1000

Sediment 0.0728 3.24e+003 0

Persistence Time: 544 hr

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