Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 0.32
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 33.92 (Adapted Stein & Brown method)
Melting Pt (deg C): -101.28 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 553 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 6.944e+004
log Kow used: 0.32 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.924e+005 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : Incomplete
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 8.436E-004 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7092
Biowin2 (Non-Linear Model) : 0.8659
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0212 (weeks )
Biowin4 (Primary Survey Model) : 3.7316 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5224
Biowin6 (MITI Non-Linear Model): 0.6571
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7825
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): 7.36E+004 Pa (552 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.08E-011
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.47E-009
Mackay model : 3.26E-009
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 5.8647 E-12 cm3/molecule-sec
Half-Life = 1.824 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 21.886 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 2.37E-009 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 43.79
Log Koc: 1.641
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 = 0.500 (BCF = 3.162)
log Kow used: 0.32 (estimated)
Volatilization from Water:
Henry LC: 0.000844 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 1.538 hours
Half-Life from Model Lake : 92.02 hours (3.834 days)
Removal In Wastewater Treatment:
Total removal: 27.65 percent
Total biodegradation: 0.07 percent
Total sludge adsorption: 1.36 percent
Total to Air: 26.22 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 22.6 43.8 1000
Water 56.5 360 1000
Soil 20.8 720 1000
Sediment 0.105 3.24e+003 0
Persistence Time: 130 hr