SMILES : O=C(N)C
CHEM : Acetamide
CAS NUM: 000060-35-5
MOL FOR: C2 H5 N1 O1
MOL WT : 59.07
------------------------------ EPI SUMMARY (v3.20) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = -1.16
Log Kow (Exper. database match) = -1.26
Exper. Ref: Hansch,C et al. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 177.41 (Adapted Stein & Brown method)
Melting Pt (deg C): 11.01 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0323 (Modified Grain method)
MP (exp database): 81 deg C
BP (exp database): 222 deg C
VP (exp database): 4.00E-02 mm Hg at 25 deg C
Subcooled liquid VP: 0.143 mm Hg (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -1.26 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 2.25e+006 mg/L (25 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
Wat Sol (Exper. database match) = 2250000.00
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.12E-008 atm-m3/mole
Group Method: Incomplete
Exper Database: 4.41E-09 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 2.510E-009 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -1.26 (exp database)
Log Kaw used: -6.744 (exp database)
Log Koa (KOAWIN v1.10 estimate): 5.484
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9296
Biowin2 (Non-Linear Model) : 0.9923
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0144 (weeks )
Biowin4 (Primary Survey Model) : 3.9679 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6635
Biowin6 (MITI Non-Linear Model): 0.8489
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1886
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): 19.1 Pa (0.143 mm Hg)
Log Koa (Koawin est ): 5.484
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.57E-007
Octanol/air (Koa) model: 7.48E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.68E-006
Mackay model : 1.26E-005
Octanol/air (Koa) model: 5.99E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 2.1020 E-12 cm3/molecule-sec
Half-Life = 5.088 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 61.062 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 9.14E-006 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 5.412
Log Koc: 0.733
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
log Kow used: -1.26 (expkow database)
Volatilization from Water:
Henry LC: 4.41E-009 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.531E+005 hours (6377 days)
Half-Life from Model Lake : 1.113E+006 hours (4.638E+004 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 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 0.103 122 1000
Water 39.1 360 1000
Soil 60.7 720 1000
Sediment 0.0716 3.24e+003 0
Persistence Time: 573 hr