Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 6.71
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 578.23 (Adapted Stein & Brown method)
Melting Pt (deg C): 249.14 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.96E-013 (Modified Grain method)
Subcooled liquid VP: 2.72E-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): 0.0009383
log Kow used: 6.71 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0033685 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Schiff Bases
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.22E-012 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 6.457E-010 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.71 (KowWin est)
Log Kaw used: -10.302 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 17.012
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1667
Biowin2 (Non-Linear Model) : 0.0008
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.7971 (months )
Biowin4 (Primary Survey Model) : 2.8503 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.5987
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.0170
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): 3.63E-008 Pa (2.72E-010 mm Hg)
Log Koa (Koawin est ): 17.012
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 82.7
Octanol/air (Koa) model: 2.52E+004
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 = 80.2724 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 87.8724 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.599 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.461 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 6.825000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer]
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 : 4.976E+007
Log Koc: 7.697
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 = 4.469 (BCF = 2.945e+004)
log Kow used: 6.71 (estimated)
Volatilization from Water:
Henry LC: 1.22E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.032E+009 hours (4.299E+007 days)
Half-Life from Model Lake : 1.126E+010 hours (4.69E+008 days)
Removal In Wastewater Treatment:
Total removal: 93.66 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 92.89 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 0.00806 1.78 1000
Water 1.57 1.44e+003 1000
Soil 38.5 2.88e+003 1000
Sediment 59.9 1.3e+004 0
Persistence Time: 5.21e+003 hr