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Boiling Point:
Vapour Pressure:
Enthalpy that Vaporization:
Flash Point:
Index that Refraction:
Molar Refractivity:
#H shortcut acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#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 ar Area: 43 Å2
Surface Tension:
Molar Volume:

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

log in Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = 2.97 boil Pt, melting Pt, Vapor pressure Estimations (MPBPWIN v1.42): boiling Pt (deg C): 576.48 (Adapted Stein & Brown method) melting Pt (deg C): 248.32 (Mean or weight MP) VP(mm Hg,25 deg C): 4.35E-012 (Modified grain method) Subcooled fluid VP: 1.16E-009 mm Hg (25 deg C, Mod-Grain method) Water Solubility calculation from log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 202.6 log in Kow used: 2.97 (estimated) no-melting pt equation offered Water Sol calculation from Fragments: Wat solar (v1.01 est) = 1e+006 mg/L ECOSAR class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law continuous (25 deg C) : Bond technique : Incomplete group Method: Incomplete Henrys LC : 4.460E-015 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : have the right to Not calculation (can not calculate HenryLC) Probability of rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6724 Biowin2 (Non-Linear Model) : 0.6828 expert Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 2.8503 (weeks ) Biowin4 (Primary inspection Model) : 3.6200 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI straight Model) : 0.2425 Biowin6 (MITI Non-Linear Model): 0.1159 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): 0.8361 all set Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): framework incompatible with present estimation method! Sorption come aerosols (25 Dec C): Vapor push (liquid/subcooled): 1.55E-007 Pa (1.16E-009 mm Hg) log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay design : 19.4 Octanol/air (Koa) model: not available portion sorbed come airborne particulates (phi): Junge-Pankow version : 0.999 Mackay version : 0.999 Octanol/air (Koa) model: not obtainable Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate consistent = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation fraction sorbed come airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed portion may be resistant to atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 80.77 log Koc: 1.907 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : price constants can NOT be approximated for this structure! Bioaccumulation approximates from log Kow (BCFWIN v2.17): log in BCF indigenous regression-based technique = 1.589 (BCF = 38.79) log Kow used: 2.97 (estimated) Volatilization from Water: Henry LC: 4.46E-015 atm-m3/mole (calculated from VP/WS) Half-Life from model River: 1.649E+011 hrs (6.873E+009 days) Half-Life from version Lake : 1.799E+012 hours (7.497E+010 days) remove In Wastewater Treatment: full removal: 5.44 percent complete biodegradation: 0.12 percent total sludge adsorption: 5.32 percent total 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) air 0.000101 1e+005 1000 Water 16.9 360 1000 floor 82.8 720 1000 Sediment 0.268 3.24e+003 0 Persistence Time: 773 hr

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