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Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index the Refraction:
Molar Refractivity:
#H link acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 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:
Surface Tension:
Molar Volume:

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

log Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = 0.73 boiling Pt, melt Pt, Vapor pressure Estimations (MPBPWIN v1.42): boiling Pt (deg C): 485.37 (Adapted Stein & Brown method) melt Pt (deg C): 196.28 (Mean or weighted MP) VP(mm Hg,25 deg C): 7.28E-011 (Modified grain method) MP (exp database): 327.5 deg C Subcooled fluid VP: 1.92E-007 mm Hg (25 deg C, Mod-Grain method) Water Solubility estimate from log in Kow (WSKOW v1.41): Water Solubility in ~ 25 deg C (mg/L): 9581 log Kow used: 0.73 (estimated) no-melting pt equation used Water Sol calculation from Fragments: Wat solar (v1.01 est) = 3.678e+005 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law continuous (25 deg C) : Bond technique : 2.45E-002 atm-m3/mole team Method: Incomplete Henrys LC : 2.072E-015 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : log Kow used: 0.73 (KowWin est) log Kaw used: 0.001 (HenryWin est) log Koa (KOAWIN v1.10 estimate): 0.729 log Koa (experimental database): nobody Probability of fast Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6489 Biowin2 (Non-Linear Model) : 0.5166 professional Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 2.7413 (weeks-months) Biowin4 (Primary survey Model) : 3.5488 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.0957 Biowin6 (MITI Non-Linear Model): 0.0306 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic straight Model): 0.8361 ready Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): structure incompatible with present estimation method! Sorption come aerosols (25 Dec C): Vapor push (liquid/subcooled): 2.56E-005 Pa (1.92E-007 mm Hg) log Koa (Koawin est ): 0.729 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.117 Octanol/air (Koa) model: 1.32E-012 portion sorbed to airborne particulates (phi): Junge-Pankow design : 0.809 Mackay model : 0.904 Octanol/air (Koa) model: 1.05E-010 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation fraction sorbed come airborne particulates (phi): 0.856 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 log in Koc: 1.155 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants deserve to NOT be estimated for this structure! Bioaccumulation approximates from log in Kow (BCFWIN v2.17): log in BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.73 (estimated) Volatilization from Water: Henry LC: 0.0245 atm-m3/mole (estimated by link SAR Method) Half-Life from design River: 1.503 hrs Half-Life from design Lake : 137.1 hours (5.712 days) removal In Wastewater Treatment: complete removal: 90.51 percent full biodegradation: 0.02 percent total sludge adsorption: 0.41 percent full to Air: 90.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: mass Amount Half-Life Emissions (percent) (hr) (kg/hr) wait 34.1 1e+005 1000 Water 59.9 900 1000 soil 5.88 1.8e+003 1000 Sediment 0.121 8.1e+003 0 Persistence Time: 222 hr

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