Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 3.21
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 440.47 (Adapted Stein & Brown method)
Melting Pt (deg C): 134.55 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.71E-008 (Modified Grain method)
Subcooled liquid VP: 8.47E-007 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): 11.07
log Kow used: 3.21 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.2821 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Esters
Vinyl/Allyl Ketones
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 4.00E-012 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 2.794E-009 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.21 (KowWin est)
Log Kaw used: -9.786 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.996
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9359
Biowin2 (Non-Linear Model) : 0.9968
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6828 (weeks-months)
Biowin4 (Primary Survey Model) : 3.7779 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5663
Biowin6 (MITI Non-Linear Model): 0.3210
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.4288
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): 0.000113 Pa (8.47E-007 mm Hg)
Log Koa (Koawin est ): 12.996
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0266
Octanol/air (Koa) model: 2.43
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.49
Mackay model : 0.68
Octanol/air (Koa) model: 0.995
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 43.3455 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 48.6655 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 2.961 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 2.637 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 4.200000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 13.097 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 6.549 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Fraction sorbed to airborne particulates (phi): 0.585 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 2394
Log Koc: 3.379
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 2.612E+000 L/mol-sec
Kb Half-Life at pH 8: 3.072 days
Kb Half-Life at pH 7: 30.715 days
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 1.776 (BCF = 59.64)
log Kow used: 3.21 (estimated)
Volatilization from Water:
Henry LC: 4E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.74E+008 hours (1.142E+007 days)
Half-Life from Model Lake : 2.989E+009 hours (1.245E+008 days)
Removal In Wastewater Treatment:
Total removal: 7.93 percent
Total biodegradation: 0.14 percent
Total sludge adsorption: 7.79 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 6.35e-005 4.08 1000
Water 12.2 900 1000
Soil 87.4 1.8e+003 1000
Sediment 0.447 8.1e+003 0
Persistence Time: 1.81e+003 hr