Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 4.27
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 326.82 (Adapted Stein & Brown method)
Melting Pt (deg C): 16.10 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000464 (Modified Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 3.168
log Kow used: 4.27 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.3231 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 6.95E-007 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 5.596E-005 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.27 (KowWin est)
Log Kaw used: -4.546 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.816
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9577
Biowin2 (Non-Linear Model) : 0.9991
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8379 (weeks )
Biowin4 (Primary Survey Model) : 3.8867 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4778
Biowin6 (MITI Non-Linear Model): 0.4359
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0394
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): 0.0619 Pa (0.000464 mm Hg)
Log Koa (Koawin est ): 8.816
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.85E-005
Octanol/air (Koa) model: 0.000161
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00175
Mackay model : 0.00386
Octanol/air (Koa) model: 0.0127
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 34.6737 E-12 cm3/molecule-sec
Half-Life = 0.308 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.702 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi): 0.00281 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1740
Log Koc: 3.241
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 5.373E-001 L/mol-sec
Kb Half-Life at pH 8: 14.931 days
Kb Half-Life at pH 7: 149.306 days
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 2.586 (BCF = 385.4)
log Kow used: 4.27 (estimated)
Volatilization from Water:
Henry LC: 6.95E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1437 hours (59.88 days)
Half-Life from Model Lake : 1.582E+004 hours (659.2 days)
Removal In Wastewater Treatment:
Total removal: 43.67 percent
Total biodegradation: 0.43 percent
Total sludge adsorption: 43.22 percent
Total to Air: 0.02 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.488 5.6 1000
Water 22.7 360 1000
Soil 71.6 720 1000
Sediment 5.22 3.24e+003 0
Persistence Time: 495 hr