Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 4.02
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 591.59 (Adapted Stein & Brown method)
Melting Pt (deg C): 255.38 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.75E-013 (Modified Grain method)
Subcooled liquid VP: 1.22E-010 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): 1.127
log Kow used: 4.02 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.57059 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Esters
Vinyl/Allyl Ketones
Vinyl/Allyl Ethers
Imidazoles
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.95E-013 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 1.753E-013 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.02 (KowWin est)
Log Kaw used: -11.098 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 15.118
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8698
Biowin2 (Non-Linear Model) : 0.9608
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3740 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5539 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2607
Biowin6 (MITI Non-Linear Model): 0.0395
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3194
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): 1.63E-008 Pa (1.22E-010 mm Hg)
Log Koa (Koawin est ): 15.118
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 184
Octanol/air (Koa) model: 322
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 = 129.7542 E-12 cm3/molecule-sec
Half-Life = 0.082 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.989 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 68.249992 E-17 cm3/molecule-sec
Half-Life = 0.017 Days (at 7E11 mol/cm3)
Half-Life = 24.179 Min
Reaction With Nitrate Radicals May Be Important!
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 : 1.52E+004
Log Koc: 4.182
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 5.843E+000 L/mol-sec
Kb Half-Life at pH 8: 1.373 days
Kb Half-Life at pH 7: 13.730 days
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 1.554 (BCF = 35.81)
log Kow used: 4.02 (estimated)
Volatilization from Water:
Henry LC: 1.95E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 6.008E+009 hours (2.503E+008 days)
Half-Life from Model Lake : 6.554E+010 hours (2.731E+009 days)
Removal In Wastewater Treatment:
Total removal: 30.99 percent
Total biodegradation: 0.33 percent
Total sludge adsorption: 30.66 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 0.00793 0.335 1000
Water 14.2 900 1000
Soil 82.2 1.8e+003 1000
Sediment 3.52 8.1e+003 0
Persistence Time: 1.36e+003 hr