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Boiling Point:
Vapour Pressure:
Enthalpy the Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H link acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule that 5 Violations:

ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar surface ar Area: 57 Å2
Surface Tension:
Molar Volume:

Predicted data is generated using the US eco-friendly Protection Agency’s EPISuite™

log Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = -4.63 boiling Pt, melt Pt, Vapor push Estimations (MPBPWIN v1.42): boiling Pt (deg C): 497.04 (Adapted Stein & Brown method) melt Pt (deg C): 194.03 (Mean or load MP) VP(mm Hg,25 deg C): 3.85E-012 (Modified serial method) Subcooled liquid VP: 2.3E-010 mm Hg (25 deg C, Mod-Grain method) Water Solubility calculation from log in Kow (WSKOW v1.41): Water Solubility in ~ 25 deg C (mg/L): 1e+006 log Kow used: -4.63 (estimated) no-melting pt equation supplied Water Sol calculation from Fragments: Wat solar (v1.01 est) = 1e+006 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law constant (25 deg C) : Bond an approach : Incomplete team Method: Incomplete Henrys LC : 4.279E-019 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : can Not calculation (can no calculate HenryLC) Probability of fast Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7073 Biowin2 (Non-Linear Model) : 0.8593 expert Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 3.0125 (weeks ) Biowin4 (Primary survey Model) : 3.7259 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI linear Model) : 0.4609 Biowin6 (MITI Non-Linear Model): 0.5218 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): 0.8361 all set Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): structure incompatible with current estimation method! Sorption come aerosols (25 Dec C): Vapor press (liquid/subcooled): 3.07E-008 Pa (2.3E-010 mm Hg) log Koa (): not obtainable Kp (particle/gas partition coef. (m3/ug)): Mackay design : 97.8 Octanol/air (Koa) model: no available portion sorbed come airborne particulates (phi): Junge-Pankow design : 1 Mackay design : 1 Octanol/air (Koa) model: not obtainable Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate constant = 0.1400 E-12 cm3/molecule-sec Half-Life = 76.400 job (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed portion may be resistant to atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 log in Koc: 1.545 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : price constants can NOT be estimated for this structure! Bioaccumulation approximates from log in Kow (BCFWIN v2.17): log in BCF indigenous regression-based technique = 0.500 (BCF = 3.162) log Kow used: -4.63 (estimated) Volatilization native Water: Henry LC: 4.28E-019 atm-m3/mole (calculated indigenous VP/WS) Half-Life from version River: 1.258E+015 hrs (5.24E+013 days) Half-Life from design Lake : 1.372E+016 hrs (5.716E+014 days) remove In Wastewater Treatment: complete removal: 1.85 percent full biodegradation: 0.09 percent full sludge adsorption: 1.75 percent full to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: fixed Amount Half-Life Emissions (percent) (hr) (kg/hr) waiting 5.02e-008 1.83e+003 1000 Water 39 360 1000 soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr

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