This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 107-58-4
SMILES : O=C(NC(C)(C)C)C=C
CHEM : 2-Propenamide, N-(1,1-dimethylethyl)-
MOL FOR: C7 H13 N1 O1
MOL WT : 127.19
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 1.02
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 247.10 (Adapted Stein & Brown method)
Melting Pt (deg C): 57.04 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00289 (Modified Grain method)
VP (Pa, 25 deg C) : 0.385 (Modified Grain method)
MP (exp database): 128-129 deg C
Subcooled liquid VP: 0.0309 mm Hg (25 deg C, Mod-Grain method)
: 4.12 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.267e+004
log Kow used: 1.02 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 72795 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Acrylamides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.03E-008 atm-m3/mole (3.07E-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: 3.817E-008 atm-m3/mole (3.868E-003 Pa-m3/mole)
VP: 0.00289 mm Hg (source: MPBPVP)
WS: 1.27E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.02 (KowWin est)
Log Kaw used: -5.907 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.927
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7132
Biowin2 (Non-Linear Model) : 0.8976
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6518 (weeks-months)
Biowin4 (Primary Survey Model) : 3.7162 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5478
Biowin6 (MITI Non-Linear Model): 0.5702
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5253
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): 4.12 Pa (0.0309 mm Hg)
Log Koa (Koawin est ): 6.927
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.28E-007
Octanol/air (Koa) model: 2.07E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.63E-005
Mackay model : 5.82E-005
Octanol/air (Koa) model: 0.000166
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 15.2068 E-12 cm3/molecule-sec
Half-Life = 0.703 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 8.440 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec
Half-Life = 6.549 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
4.23E-005 (Junge-Pankow, Mackay avg)
0.000166 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 26.35 L/kg (MCI method)
Log Koc: 1.421 (MCI method)
Koc : 29.09 L/kg (Kow method)
Log Koc: 1.464 (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 = 0.340 (BCF = 2.19 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.4113 days (HL = 0.03879 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.190 (BCF = 1.548)
Log BAF Arnot-Gobas method (upper trophic) = 0.190 (BAF = 1.548)
log Kow used: 1.02 (estimated)
Volatilization from Water:
Henry LC: 3.03E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.179E+004 hours (908 days)
Half-Life from Model Lake : 2.378E+005 hours (9910 days)
Removal In Wastewater Treatment:
Total removal: 1.89 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.80 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 0.229 15.2 1000
Water 29 900 1000
Soil 70.7 1.8e+003 1000
Sediment 0.0916 8.1e+003 0
Persistence Time: 1.1e+003 hr