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Boiling Point:
Vapour Pressure:
Enthalpy that Vaporization:
Flash Point:
Index the Refraction:
Molar Refractivity:
#H link acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule the 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 Area: 71 Å2
Surface Tension:
Molar Volume:

Predicted data is generated using the US ecological Protection Agency’s EPISuite™

log Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = -4.63 boiling Pt, melt Pt, Vapor pressure Estimations (MPBPWIN v1.42): boiling Pt (deg C): 492.01 (Adapted Stein & Brown method) melting Pt (deg C): 193.60 (Mean or load MP) VP(mm Hg,25 deg C): 5.55E-012 (Modified grain method) Subcooled liquid VP: 3.27E-010 mm Hg (25 deg C, Mod-Grain method) Water Solubility estimate from log Kow (WSKOW v1.41): Water Solubility in ~ 25 deg C (mg/L): 1e+006 log Kow used: -4.63 (estimated) no-melting pt equation provided Water Sol estimate from Fragments: Wat sol (v1.01 est) = 1e+006 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law consistent (25 deg C) : Bond method : Incomplete team Method: Incomplete Henrys LC : 7.336E-019 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : can Not estimate (can not calculate HenryLC) Probability of rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6997 Biowin2 (Non-Linear Model) : 0.8295 experienced Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 2.9772 (weeks ) Biowin4 (Primary inspection Model) : 3.7028 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.4133 Biowin6 (MITI Non-Linear Model): 0.4075 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic direct Model): 0.8361 all set Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): framework incompatible with present estimation method! Sorption to aerosols (25 Dec C): Vapor press (liquid/subcooled): 4.36E-008 Pa (3.27E-010 mm Hg) log Koa (): not obtainable Kp (particle/gas partition coef. (m3/ug)): Mackay version : 68.8 Octanol/air (Koa) model: not available fraction sorbed come airborne particulates (phi): Junge-Pankow model : 1 Mackay version : 1 Octanol/air (Koa) model: not obtainable Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: in its entirety 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 come airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may it is in resistant to atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.64 log Koc: 1.687 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : price constants can NOT be estimated for this structure! Bioaccumulation estimates from log Kow (BCFWIN v2.17): log in BCF indigenous regression-based an approach = 0.500 (BCF = 3.162) log in Kow used: -4.63 (estimated) Volatilization indigenous Water: Henry LC: 7.34E-019 atm-m3/mole (calculated from VP/WS) Half-Life from design River: 7.999E+014 hrs (3.333E+013 days) Half-Life from model Lake : 8.726E+015 hrs (3.636E+014 days) removed In Wastewater Treatment: total removal: 1.85 percent total biodegradation: 0.09 percent full sludge adsorption: 1.75 percent complete 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 6.03e-008 1.83e+003 1000 Water 39 360 1000 floor 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr

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