Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 1.02

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):

Boiling Pt (deg C): 495.31 (Adapted Stein & Brown method)

Melting Pt (deg C): 210.41 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.87E-010 (Modified Grain method)

Subcooled liquid VP: 3.61E-008 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): 1283

log Kow used: 1.02 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 18624 mg/L

ECOSAR Class Program (ECOSAR v0.99h):

Class(es) found:

Esters

Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:

Bond Method : 2.25E-012 atm-m3/mole

Group Method: Incomplete

Henrys LC [VP/WSol estimate using EPI values]: 1.264E-013 atm-m3/mole

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 1.02 (KowWin est)

Log Kaw used: -10.036 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.056

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.3732

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4746 (weeks-months)

Biowin4 (Primary Survey Model) : 3.9646 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5182

Biowin6 (MITI Non-Linear Model): 0.3745

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.8568

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): 4.81E-006 Pa (3.61E-008 mm Hg)

Log Koa (Koawin est ): 11.056

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.623

Octanol/air (Koa) model: 0.0279

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.957

Mackay model : 0.98

Octanol/air (Koa) model: 0.691

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 40.3767 E-12 cm3/molecule-sec

Half-Life = 0.265 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.179 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi): 0.969 (Junge,Mackay)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (PCKOCWIN v1.66):

Koc : 1693

Log Koc: 3.229

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:

Total Kb for pH > 8 at 25 deg C : 2.094E-001 L/mol-sec

Kb Half-Life at pH 8: 38.307 days

Kb Half-Life at pH 7: 1.049 years

Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):

Log BCF from regression-based method = 0.087 (BCF = 1.222)

log Kow used: 1.02 (estimated)

Volatilization from Water:

Henry LC: 2.25E-012 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.643E+008 hours (1.935E+007 days)

Half-Life from Model Lake : 5.065E+009 hours (2.11E+008 days)

Removal In Wastewater Treatment:

Total removal: 1.89 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.80 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 0.00101 6.36 1000

Water 40.4 900 1000

Soil 59.5 1.8e+003 1000

Sediment 0.0857 8.1e+003 0

Persistence Time: 1.06e+003 hr

Source: