Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 4.24
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 472.20 (Adapted Stein & Brown method)
Melting Pt (deg C): 199.61 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.42E-011 (Modified Grain method)
Subcooled liquid VP: 3.76E-009 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): 9.933
log Kow used: 4.24 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 24.555 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Esters
Phenols
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 3.93E-015 atm-m3/mole
Group Method: 5.35E-016 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 2.214E-012 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.24 (KowWin est)
Log Kaw used: -12.794 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 17.034
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.1893
Biowin2 (Non-Linear Model) : 0.9990
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7179 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6476 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3429
Biowin6 (MITI Non-Linear Model): 0.1906
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3375
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): 5.01E-007 Pa (3.76E-009 mm Hg)
Log Koa (Koawin est ): 17.034
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.98
Octanol/air (Koa) model: 2.65E+004
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.995
Mackay model : 0.998
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 76.8115 E-12 cm3/molecule-sec
Half-Life = 0.139 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.671 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1.746E+005
Log Koc: 5.242
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 4.656E-002 L/mol-sec
Kb Half-Life at pH 8: 172.299 days
Kb Half-Life at pH 7: 4.717 years
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 2.567 (BCF = 368.9)
log Kow used: 4.24 (estimated)
Volatilization from Water:
Henry LC: 5.35E-016 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.922E+012 hours (8.007E+010 days)
Half-Life from Model Lake : 2.096E+013 hours (8.735E+011 days)
Removal In Wastewater Treatment:
Total removal: 42.05 percent
Total biodegradation: 0.41 percent
Total sludge adsorption: 41.63 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 1.18e-006 3.34 1000
Water 10.6 900 1000
Soil 85.1 1.8e+003 1000
Sediment 4.36 8.1e+003 0
Persistence Time: 1.93e+003 hr