Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 4.62
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 436.67 (Adapted Stein & Brown method)
Melting Pt (deg C): 183.02 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.36E-008 (Modified Grain method)
Subcooled liquid VP: 1.05E-006 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): 1.362
log Kow used: 4.62 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.74613 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Triazines
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 3.91E-009 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 6.889E-009 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.62 (KowWin est)
Log Kaw used: -6.796 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.416
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3765
Biowin2 (Non-Linear Model) : 0.0001
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.8944 (months )
Biowin4 (Primary Survey Model) : 3.0285 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0163
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6874
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): 0.00014 Pa (1.05E-006 mm Hg)
Log Koa (Koawin est ): 11.416
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0214
Octanol/air (Koa) model: 0.064
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.436
Mackay model : 0.632
Octanol/air (Koa) model: 0.837
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 3.3789 E-12 cm3/molecule-sec
Half-Life = 3.166 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 37.986 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 0.534 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1.096E+005
Log Koc: 5.040
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 = 2.535 (BCF = 342.5)
log Kow used: 4.62 (estimated)
Volatilization from Water:
Henry LC: 3.91E-009 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.603E+005 hours (1.085E+004 days)
Half-Life from Model Lake : 2.84E+006 hours (1.183E+005 days)
Removal In Wastewater Treatment:
Total removal: 62.16 percent
Total biodegradation: 0.57 percent
Total sludge adsorption: 61.60 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 0.0315 76 1000
Water 7.52 1.44e+003 1000
Soil 82.7 2.88e+003 1000
Sediment 9.8 1.3e+004 0
Persistence Time: 3.09e+003 hr