Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 2.87
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 410.02 (Adapted Stein & Brown method)
Melting Pt (deg C): 145.41 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.85E-007 (Modified Grain method)
Subcooled liquid VP: 4.74E-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): 29.7
log Kow used: 2.87 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 375.97 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 9.14E-014 atm-m3/mole
Group Method: 6.14E-014 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 4.146E-009 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.87 (KowWin est)
Log Kaw used: -11.428 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 14.298
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6304
Biowin2 (Non-Linear Model) : 0.9619
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3256 (weeks-months)
Biowin4 (Primary Survey Model) : 3.7944 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3053
Biowin6 (MITI Non-Linear Model): 0.0845
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.2394
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): 0.000632 Pa (4.74E-006 mm Hg)
Log Koa (Koawin est ): 14.298
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00475
Octanol/air (Koa) model: 48.8
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.146
Mackay model : 0.275
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 8.0490 E-12 cm3/molecule-sec
Half-Life = 1.329 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 15.946 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 0.211 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1.163E+004
Log Koc: 4.065
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 5.676E-002 L/mol-sec
Kb Half-Life at pH 8: 141.336 days
Kb Half-Life at pH 7: 3.870 years
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 1.508 (BCF = 32.23)
log Kow used: 2.87 (estimated)
Volatilization from Water:
Henry LC: 6.14E-014 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.728E+010 hours (7.2E+008 days)
Half-Life from Model Lake : 1.885E+011 hours (7.854E+009 days)
Removal In Wastewater Treatment:
Total removal: 4.73 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 4.61 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 5.75e-007 31.9 1000
Water 13.4 900 1000
Soil 86.4 1.8e+003 1000
Sediment 0.23 8.1e+003 0
Persistence Time: 1.75e+003 hr