Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 3.41
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 404.68 (Adapted Stein & Brown method)
Melting Pt (deg C): 159.86 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.65E-007 (Modified Grain method)
Subcooled liquid VP: 6.4E-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): 13.15
log Kow used: 3.41 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 112.8 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Aromatic Amines
Esters
Thiophenes
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 3.97E-011 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 7.009E-009 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.41 (KowWin est)
Log Kaw used: -8.790 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.200
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9785
Biowin2 (Non-Linear Model) : 0.9993
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3882 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3847 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2270
Biowin6 (MITI Non-Linear Model): 0.0866
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1133
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): 0.000853 Pa (6.4E-006 mm Hg)
Log Koa (Koawin est ): 12.200
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00352
Octanol/air (Koa) model: 0.389
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.113
Mackay model : 0.22
Octanol/air (Koa) model: 0.969
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 207.7894 E-12 cm3/molecule-sec
Half-Life = 0.051 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.618 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 0.166 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 271.2
Log Koc: 2.433
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 3.776E-002 L/mol-sec
Kb Half-Life at pH 8: 212.462 days
Kb Half-Life at pH 7: 5.817 years
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 1.924 (BCF = 83.87)
log Kow used: 3.41 (estimated)
Volatilization from Water:
Henry LC: 3.97E-011 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.398E+007 hours (9.991E+005 days)
Half-Life from Model Lake : 2.616E+008 hours (1.09E+007 days)
Removal In Wastewater Treatment:
Total removal: 11.14 percent
Total biodegradation: 0.17 percent
Total sludge adsorption: 10.97 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 0.00034 1.24 1000
Water 11.8 900 1000
Soil 87.5 1.8e+003 1000
Sediment 0.691 8.1e+003 0
Persistence Time: 1.82e+003 hr