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Boiling Point:
Vapour Pressure:
Enthalpy that Vaporization:
Flash Point:
Index that Refraction:
Molar Refractivity:
#H shortcut acceptors: 0
#H bond donors: 0
#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: 0 Å2
Surface Tension:
Molar Volume:

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

log in Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = -3.47 boil Pt, melting Pt, Vapor pressure Estimations (MPBPWIN v1.42): boiling Pt (deg C): 542.46 (Adapted Stein & Brown method) melt Pt (deg C): 217.75 (Mean or load MP) VP(mm Hg,25 deg C): 2E-011 (Modified grain method) Subcooled fluid VP: 2.28E-009 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 in Kow used: -3.47 (estimated) no-melting pt equation provided Water Sol calculation from Fragments: Wat solar (v1.01 est) = 13545 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law consistent (25 deg C) : Bond method : 2.45E-005 atm-m3/mole team Method: Incomplete Henrys LC : 5.480E-018 atm-m3/mole log in Octanol-Air Partition Coefficient (25 deg C) : log in Kow used: -3.47 (KowWin est) log Kaw used: -2.999 (HenryWin est) log Koa (KOAWIN v1.10 estimate): -0.471 log in Koa (experimental database): nobody Probability of rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6484 Biowin2 (Non-Linear Model) : 0.5129 professional Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 2.7390 (weeks-months) Biowin4 (Primary inspection Model) : 3.5473 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI linear Model) : 0.0926 Biowin6 (MITI Non-Linear Model): 0.0297 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic direct 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): 3.04E-007 Pa (2.28E-009 mm Hg) log Koa (Koawin est ): -0.471 Kp (particle/gas partition coef. (m3/ug)): Mackay design : 9.87 Octanol/air (Koa) model: 8.3E-014 portion sorbed come airborne particulates (phi): Junge-Pankow model : 0.997 Mackay version : 0.999 Octanol/air (Koa) model: 6.64E-012 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: in its entirety OH Rate consistent = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation portion sorbed come airborne particulates (phi): 0.998 (Junge,Mackay) Note: the sorbed fraction may be resistant come atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 64.94 log Koc: 1.813 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants have the right to NOT be approximated for this structure! Bioaccumulation approximates from log in Kow (BCFWIN v2.17): log in BCF native regression-based technique = 0.500 (BCF = 3.162) log in Kow used: -3.47 (estimated) Volatilization from Water: Henry LC: 2.45E-005 atm-m3/mole (estimated by bond SAR Method) Half-Life from design River: 35.96 hours (1.498 days) Half-Life from version Lake : 513.3 hrs (21.39 days) removed In Wastewater Treatment: total removal: 3.16 percent total biodegradation: 0.09 percent full sludge adsorption: 1.73 percent complete to Air: 1.33 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: fixed Amount Half-Life Emissions (percent) (hr) (kg/hr) air 1.91 1e+005 1000 Water 44.9 900 1000 floor 53.1 1.8e+003 1000 Sediment 0.0861 8.1e+003 0 Persistence Time: 840 hr

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