Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 5.52
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 419.34 (Adapted Stein & Brown method)
Melting Pt (deg C): 142.27 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.83E-007 (Modified Grain method)
Subcooled liquid VP: 2.8E-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): 0.1194
log Kow used: 5.52 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.17968 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.43E-006 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 7.067E-007 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.52 (KowWin est)
Log Kaw used: -4.233 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.753
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9291
Biowin2 (Non-Linear Model) : 0.9980
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7052 (weeks-months)
Biowin4 (Primary Survey Model) : 3.8001 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4721
Biowin6 (MITI Non-Linear Model): 0.1475
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3246
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): 0.000373 Pa (2.8E-006 mm Hg)
Log Koa (Koawin est ): 9.753
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00804
Octanol/air (Koa) model: 0.00139
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.225
Mackay model : 0.391
Octanol/air (Koa) model: 0.1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 356.7038 E-12 cm3/molecule-sec
Half-Life = 0.030 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 21.590 Min
Ozone Reaction:
OVERALL Ozone Rate Constant = 2670.165039 E-17 cm3/molecule-sec
Half-Life = 0.000 Days (at 7E11 mol/cm3)
Half-Life = 0.618 Min
Fraction sorbed to airborne particulates (phi): 0.308 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 2.412E+004
Log Koc: 4.382
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 2.226E+000 L/mol-sec
Kb Half-Life at pH 8: 3.603 days
Kb Half-Life at pH 7: 36.031 days
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 3.549 (BCF = 3541)
log Kow used: 5.52 (estimated)
Volatilization from Water:
Henry LC: 1.43E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 768.3 hours (32.01 days)
Half-Life from Model Lake : 8539 hours (355.8 days)
Removal In Wastewater Treatment:
Total removal: 88.53 percent
Total biodegradation: 0.75 percent
Total sludge adsorption: 87.78 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 0.000259 0.0102 1000
Water 7.1 900 1000
Soil 45.8 1.8e+003 1000
Sediment 47.1 8.1e+003 0
Persistence Time: 1.89e+003 hr