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

Predicted data is created using the US environmental Protection Agency’s EPISuite™

log Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = -0.48 boil Pt, melt Pt, Vapor press Estimations (MPBPWIN v1.42): cook Pt (deg C): 483.10 (Adapted Stein & Brown method) melt Pt (deg C): 188.10 (Mean or weight MP) VP(mm Hg,25 deg C): 4.27E-009 (Modified serial method) Subcooled fluid VP: 2.17E-007 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): 2.92e+005 log in Kow used: -0.48 (estimated) no-melting pt equation offered Water Sol estimate from Fragments: Wat solar (v1.01 est) = 88651 mg/L ECOSAR class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law consistent (25 deg C) : Bond an approach : Incomplete group Method: Incomplete Henrys LC : 1.989E-015 atm-m3/mole log in Octanol-Air Partition Coefficient (25 deg C) : have the right to Not calculation (can no calculate HenryLC) Probability of quick Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6983 Biowin2 (Non-Linear Model) : 0.8236 expert Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 2.9707 (weeks ) Biowin4 (Primary survey Model) : 3.6986 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.4393 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic straight Model): 0.8361 ready Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): framework incompatible with existing estimation method! Sorption come aerosols (25 Dec C): Vapor push (liquid/subcooled): 2.89E-005 Pa (2.17E-007 mm Hg) log in Koa (): not accessible Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.104 Octanol/air (Koa) model: no available portion sorbed come airborne particulates (phi): Junge-Pankow model : 0.789 Mackay version : 0.892 Octanol/air (Koa) model: not obtainable 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): 0.841 (Junge,Mackay) Note: the sorbed fraction may it is in resistant to atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.74 log Koc: 1.376 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants can NOT be approximated for this structure! Bioaccumulation approximates from log Kow (BCFWIN v2.17): log in BCF indigenous regression-based method = 0.500 (BCF = 3.162) log in Kow used: -0.48 (estimated) Volatilization from Water: Henry LC: 1.99E-015 atm-m3/mole (calculated from VP/WS) Half-Life from version River: 2.993E+011 hours (1.247E+010 days) Half-Life from version Lake : 3.265E+012 hrs (1.36E+011 days) removed In Wastewater Treatment: total removal: 1.85 percent complete biodegradation: 0.09 percent complete sludge adsorption: 1.76 percent full to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: massive Amount Half-Life Emissions (percent) (hr) (kg/hr) waiting 2.87e-007 1e+005 1000 Water 38.8 360 1000 floor 61.1 720 1000 Sediment 0.0712 3.24e+003 0 Persistence Time: 580 hr

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