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Density:
Boiling Point:
Vapour Pressure:
Enthalpy the Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H link donors: 0
#Freely Rotating Bonds: 0
#Rule the 5 Violations:

ACD/LogP:
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: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

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

log in Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = 0.23 boiling Pt, melting Pt, Vapor push Estimations (MPBPWIN v1.42): boil Pt (deg C): 482.98 (Adapted Stein & Brown method) melt Pt (deg C): 188.60 (Mean or load MP) VP(mm Hg,25 deg C): 0 (Modified grain method) MP (exp database): 710 deg C BP (exp database): 1600 deg C Subcooled fluid VP: 1.89E-037 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): 5.476e+004 log Kow used: 0.23 (estimated) no-melting pt equation supplied Water Sol estimate from Fragments: Wat sol (v1.01 est) = 2.4377e+005 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law continuous (25 deg C) : Bond method : 2.45E-002 atm-m3/mole team Method: Incomplete Henrys LC : not accessible Log Octanol-Air Partition Coefficient (25 deg C) : log in Kow used: 0.23 (KowWin est) log Kaw used: 0.001 (HenryWin est) log Koa (KOAWIN v1.10 estimate): 0.229 log Koa (experimental database): nobody Probability of rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6822 Biowin2 (Non-Linear Model) : 0.7424 expert Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 2.8957 (weeks ) Biowin4 (Primary inspection Model) : 3.6496 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.3036 Biowin6 (MITI Non-Linear Model): 0.1917 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic direct Model): 0.8361 ready Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): structure incompatible with current estimation method! Sorption to aerosols (25 Dec C): Vapor press (liquid/subcooled): 2.52E-035 Pa (1.89E-037 mm Hg) log in Koa (Koawin est ): 0.229 Kp (particle/gas partition coef. (m3/ug)): Mackay version : 1.19E+029 Octanol/air (Koa) model: 4.16E-013 fraction sorbed to airborne particulates (phi): Junge-Pankow version : 1 Mackay version : 1 Octanol/air (Koa) model: 3.33E-011 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: in its entirety OH Rate continuous = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation portion sorbed come 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 : 14.3 log Koc: 1.155 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants can NOT be approximated for this structure! Bioaccumulation approximates from log in Kow (BCFWIN v2.17): log in BCF indigenous regression-based technique = 0.500 (BCF = 3.162) log in Kow used: 0.23 (estimated) Volatilization native Water: Henry LC: 0.0245 atm-m3/mole (estimated by shortcut SAR Method) Half-Life from model River: 1.224 hours Half-Life from design Lake : 111.6 hrs (4.651 days) remove In Wastewater Treatment: complete removal: 90.51 percent full biodegradation: 0.02 percent complete sludge adsorption: 0.40 percent full to Air: 90.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: massive Amount Half-Life Emissions (percent) (hr) (kg/hr) waiting 38.1 1e+005 1000 Water 55.6 360 1000 soil 6.22 720 1000 Sediment 0.103 3.24e+003 0 Persistence Time: 182 hr

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