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Boiling Point:
Vapour Pressure:
Enthalpy the Vaporization:
Flash Point:
Index the Refraction:
Molar Refractivity:
#H shortcut acceptors: 2
#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 ar Area: 40 Å2
Surface Tension:
Molar Volume:

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

log Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = -4.63 cook Pt, melt Pt, Vapor push Estimations (MPBPWIN v1.42): cook Pt (deg C): 539.24 (Adapted Stein & Brown method) melt Pt (deg C): 219.38 (Mean or weight MP) VP(mm Hg,25 deg C): 9.75E-014 (Modified grain method) Subcooled fluid VP: 1.16E-011 mm Hg (25 deg C, Mod-Grain method) Water Solubility calculation from log Kow (WSKOW v1.41): Water Solubility in ~ 25 deg C (mg/L): 1e+006 log in Kow used: -4.63 (estimated) no-melting pt equation offered Water Sol estimate from Fragments: Wat solar (v1.01 est) = 9.4843e+005 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law constant (25 deg C) : Bond an approach : Incomplete group Method: Incomplete Henrys LC : 2.051E-020 atm-m3/mole log in Octanol-Air Partition Coefficient (25 deg C) : deserve to Not calculation (can no calculate HenryLC) Probability of quick Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6714 Biowin2 (Non-Linear Model) : 0.6765 professional Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 2.8458 (weeks ) Biowin4 (Primary inspection Model) : 3.6170 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI linear Model) : 0.2364 Biowin6 (MITI Non-Linear Model): 0.1100 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): 0.8361 all set Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): structure incompatible with current estimation method! Sorption to aerosols (25 Dec C): Vapor push (liquid/subcooled): 1.55E-009 Pa (1.16E-011 mm Hg) log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay version : 1.94E+003 Octanol/air (Koa) model: no available portion sorbed to airborne particulates (phi): Junge-Pankow design : 1 Mackay design : 1 Octanol/air (Koa) model: not accessible Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: overall OH Rate continuous = 0.1400 E-12 cm3/molecule-sec Half-Life = 76.400 work (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed portion may it is in resistant to atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.74 log in Koc: 1.376 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : price constants have the right to NOT be approximated for this structure! Bioaccumulation approximates from log Kow (BCFWIN v2.17): log in BCF from regression-based technique = 0.500 (BCF = 3.162) log in Kow used: -4.63 (estimated) Volatilization native Water: Henry LC: 2.05E-020 atm-m3/mole (calculated indigenous VP/WS) Half-Life from design River: 3.609E+016 hrs (1.504E+015 days) Half-Life from version Lake : 3.937E+017 hours (1.64E+016 days) removed In Wastewater Treatment: complete removal: 1.85 percent complete biodegradation: 0.09 percent complete sludge adsorption: 1.75 percent complete 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) wait 5.34e-008 1.83e+003 1000 Water 39 360 1000 soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr

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