Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 0.23
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 473.12 (Adapted Stein & Brown method)
Melting Pt (deg C): 173.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.3E-007 (Modified Grain method)
MP (exp database): 16.8-62.3 deg C
VP (exp database): 2.63E+02 mm Hg at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 8.337e+004
log Kow used: 0.23 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.4211e+005 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.73E-005 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 1.643E-013 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.23 (KowWin est)
Log Kaw used: -3.150 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.380
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7094
Biowin2 (Non-Linear Model) : 0.8667
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0223 (weeks )
Biowin4 (Primary Survey Model) : 3.7322 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4740
Biowin6 (MITI Non-Linear Model): 0.5534
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8361
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): 3.51E+004 Pa (263 mm Hg)
Log Koa (Koawin est ): 3.380
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.56E-011
Octanol/air (Koa) model: 5.89E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.09E-009
Mackay model : 6.84E-009
Octanol/air (Koa) model: 4.71E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec
Half-Life = -------
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 4.97E-009 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 4.411
Log Koc: 0.645
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: 0.23 (estimated)
Volatilization from Water:
Henry LC: 1.73E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 31.19 hours (1.3 days)
Half-Life from Model Lake : 415.3 hours (17.31 days)
Removal In Wastewater Treatment:
Total removal: 2.79 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 0.95 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 6.44 1e+005 1000
Water 40.8 360 1000
Soil 52.7 720 1000
Sediment 0.0757 3.24e+003 0
Persistence Time: 427 hr