Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 4.74
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 647.45 (Adapted Stein & Brown method)
Melting Pt (deg C): 281.48 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.09E-015 (Modified Grain method)
Subcooled liquid VP: 4.18E-012 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): 0.1054
log Kow used: 4.74 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.047416 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Acrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.50E-013 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 3.220E-014 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.74 (KowWin est)
Log Kaw used: -11.212 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 15.952
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.7036
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2567 (weeks-months)
Biowin4 (Primary Survey Model) : 3.8211 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3023
Biowin6 (MITI Non-Linear Model): 0.0404
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6733
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): 5.57E-010 Pa (4.18E-012 mm Hg)
Log Koa (Koawin est ): 15.952
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.38E+003
Octanol/air (Koa) model: 2.2E+003
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 52.6789 E-12 cm3/molecule-sec
Half-Life = 0.203 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.436 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec
Half-Life = 0.546 Days (at 7E11 mol/cm3)
Half-Life = 13.097 Hrs
Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1251
Log Koc: 3.097
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 6.237E-003 L/mol-sec
Kb Half-Life at pH 8: 3.521 years
Kb Half-Life at pH 7: 35.212 years
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 2.953 (BCF = 898)
log Kow used: 4.74 (estimated)
Volatilization from Water:
Henry LC: 1.5E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 8.033E+009 hours (3.347E+008 days)
Half-Life from Model Lake : 8.763E+010 hours (3.651E+009 days)
Removal In Wastewater Treatment:
Total removal: 67.79 percent
Total biodegradation: 0.61 percent
Total sludge adsorption: 67.18 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 0.083 3.55 1000
Water 12.2 900 1000
Soil 72 1.8e+003 1000
Sediment 15.7 8.1e+003 0
Persistence Time: 1.47e+003 hr