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CAS Number: 127-19-5
SMILES : O=C(N(C)C)C
CHEM : Acetamide, N,N-dimethyl-
MOL FOR: C4 H9 N1 O1
MOL WT : 87.12
------------------------------ 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) = -0.49
Log Kow (Exper. database match) = -0.77
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 138.25 (Adapted Stein & Brown method)
Melting Pt (deg C): -28.45 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.98 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 264 (Mean VP of Antoine & Grain methods)
MP (exp database): -20 deg C
BP (exp database): 165 deg C
VP (exp database): 2.00E+00 mm Hg (2.67E+002 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 5.747e+005
log Kow used: -0.77 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)
Exper. Ref: RIDDICK,JA ET AL. (1986)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 8.856e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.39E-008 atm-m3/mole (5.46E-003 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 1.31E-08 atm-m3/mole (1.33E-003 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 3.949E-007 atm-m3/mole (4.002E-002 Pa-m3/mole)
VP: 1.98 mm Hg (source: MPBPVP)
WS: 5.75E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.77 (exp database)
Log Kaw used: -6.271 (exp database)
Log Koa (KOAWIN v1.10 estimate): 5.501
Log Koa (experimental database): 5.330
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) : 0.5808
Biowin6 (MITI Non-Linear Model): 0.7221
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0295
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): 267 Pa (2 mm Hg)
Log Koa (Exp database): 5.330
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.12E-008
Octanol/air (Koa) model: 5.25E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.06E-007
Mackay model : 9E-007
Octanol/air (Koa) model: 4.2E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 16.2172 E-12 cm3/molecule-sec
Half-Life = 0.660 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.915 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
6.53E-007 (Junge-Pankow, Mackay avg)
4.2E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.344 L/kg (MCI method)
Log Koc: 0.524 (MCI method)
Koc : 2.83 L/kg (Kow method)
Log Koc: 0.452 (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 v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.8570 days (HL = 0.0139 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.8995)
Log BAF Arnot-Gobas method (upper trophic) = -0.046 (BAF = 0.8995)
log Kow used: -0.77 (expkow database)
Volatilization from Water:
Henry LC: 1.31E-008 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 4.172E+004 hours (1738 days)
Half-Life from Model Lake : 4.552E+005 hours (1.897E+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 0.26 18.9 1000
Water 36.4 360 1000
Soil 63.3 720 1000
Sediment 0.0717 3.24e+003 0
Persistence Time: 557 hr