Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 1.49
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 156.19 (Adapted Stein & Brown method)
Melting Pt (deg C): 8.52 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 5771
log Kow used: 1.49 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 112.53 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]: 7.531E-005 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) : 0.6951
Biowin2 (Non-Linear Model) : 0.8093
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9559 (weeks )
Biowin4 (Primary Survey Model) : 3.6889 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3846
Biowin6 (MITI Non-Linear Model): 0.3424
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8361
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): 365 Pa (2.74 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.21E-009
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.97E-007
Mackay model : 6.57E-007
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 1.9498 E-12 cm3/molecule-sec
Half-Life = 5.486 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 65.827 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 4.77E-007 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 268
Log Koc: 2.428
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 = 0.450 (BCF = 2.816)
log Kow used: 1.49 (estimated)
Volatilization from Water:
Henry LC: 7.53E-005 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 9.228 hours
Half-Life from Model Lake : 188.7 hours (7.861 days)
Removal In Wastewater Treatment:
Total removal: 5.70 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.82 percent
Total to Air: 3.79 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 9.99 132 1000
Water 36.9 360 1000
Soil 53.1 720 1000
Sediment 0.0871 3.24e+003 0
Persistence Time: 321 hr