Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 2.61
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 318.26 (Adapted Stein & Brown method)
Melting Pt (deg C): 72.75 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000261 (Modified Grain method)
Subcooled liquid VP: 0.000736 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): 348.5
log Kow used: 2.61 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 116.63 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Acrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.20E-005 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 1.717E-007 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.61 (KowWin est)
Log Kaw used: -3.309 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.919
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8935
Biowin2 (Non-Linear Model) : 0.9945
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8796 (weeks )
Biowin4 (Primary Survey Model) : 3.7568 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6103
Biowin6 (MITI Non-Linear Model): 0.6589
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1968
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): 0.0981 Pa (0.000736 mm Hg)
Log Koa (Koawin est ): 5.919
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.06E-005
Octanol/air (Koa) model: 2.04E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0011
Mackay model : 0.00244
Octanol/air (Koa) model: 1.63E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 34.2021 E-12 cm3/molecule-sec
Half-Life = 0.313 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.753 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec
Half-Life = 0.084 Days (at 7E11 mol/cm3)
Half-Life = 2.015 Hrs
Fraction sorbed to airborne particulates (phi): 0.00177 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 391.3
Log Koc: 2.592
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 = 1.308 (BCF = 20.31)
log Kow used: 2.61 (estimated)
Volatilization from Water:
Henry LC: 1.2E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 65.74 hours (2.739 days)
Half-Life from Model Lake : 827.9 hours (34.49 days)
Removal In Wastewater Treatment:
Total removal: 4.09 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 3.33 percent
Total to Air: 0.66 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.181 1.59 1000
Water 26.5 360 1000
Soil 73.1 720 1000
Sediment 0.221 3.24e+003 0
Persistence Time: 437 hr