Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 0.34
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 600.86 (Adapted Stein & Brown method)
Melting Pt (deg C): 259.71 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.75E-016 (Modified Grain method)
Subcooled liquid VP: 1.38E-013 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): 3.923e+004
log Kow used: 0.34 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.6207 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Aliphatic Amines
Vinyl/Allyl Halides
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 2.73E-020 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 4.224E-021 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.34 (KowWin est)
Log Kaw used: -17.952 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 18.292
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2710
Biowin2 (Non-Linear Model) : 0.0029
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0290 (months )
Biowin4 (Primary Survey Model) : 2.9745 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.1796
Biowin6 (MITI Non-Linear Model): 0.0015
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.3746
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): 1.84E-011 Pa (1.38E-013 mm Hg)
Log Koa (Koawin est ): 18.292
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.63E+005
Octanol/air (Koa) model: 4.81E+005
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 = 170.5110 E-12 cm3/molecule-sec
Half-Life = 0.063 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.753 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.290830 E-17 cm3/molecule-sec
Half-Life = 3.940 Days (at 7E11 mol/cm3)
Half-Life = 94.571 Hrs
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 : 3.921E+004
Log Koc: 4.593
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: 0.34 (estimated)
Volatilization from Water:
Henry LC: 2.73E-020 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.93E+016 hours (1.638E+015 days)
Half-Life from Model Lake : 4.288E+017 hours (1.787E+016 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 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 3.56e-006 1.48 1000
Water 47.9 1.44e+003 1000
Soil 52 2.88e+003 1000
Sediment 0.0952 1.3e+004 0
Persistence Time: 1.2e+003 hr