Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 3.91
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 494.20 (Adapted Stein & Brown method)
Melting Pt (deg C): 209.89 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.19E-010 (Modified Grain method)
Subcooled liquid VP: 3.85E-008 mm Hg (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 4.796
log Kow used: 3.91 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 16.635 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Acrylamides
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.02E-013 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 3.591E-011 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.91 (KowWin est)
Log Kaw used: -11.380 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 15.290
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8090
Biowin2 (Non-Linear Model) : 0.7798
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4547 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6025 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0658
Biowin6 (MITI Non-Linear Model): 0.0206
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.9542
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): 5.13E-006 Pa (3.85E-008 mm Hg)
Log Koa (Koawin est ): 15.290
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.584
Octanol/air (Koa) model: 479
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.955
Mackay model : 0.979
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 83.1237 E-12 cm3/molecule-sec
Half-Life = 0.129 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.544 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 26.400000 E-17 cm3/molecule-sec
Half-Life = 0.043 Days (at 7E11 mol/cm3)
Half-Life = 1.042 Hrs
Fraction sorbed to airborne particulates (phi): 0.967 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1.486E+005
Log Koc: 5.172
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 = 2.308 (BCF = 203.1)
log Kow used: 3.91 (estimated)
Volatilization from Water:
Henry LC: 1.02E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.014E+010 hours (4.227E+008 days)
Half-Life from Model Lake : 1.107E+011 hours (4.611E+009 days)
Removal In Wastewater Treatment:
Total removal: 26.13 percent
Total biodegradation: 0.29 percent
Total sludge adsorption: 25.84 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 2.43e-005 0.779 1000
Water 11.1 900 1000
Soil 86.8 1.8e+003 1000
Sediment 2.11 8.1e+003 0
Persistence Time: 1.88e+003 hr