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Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index that Refraction: 1.532
Molar Refractivity: 12.1±0.5 cm3
#H link acceptors: 5
#H link donors: 0
#Freely Rotating Bonds: 1
#Rule that 5 Violations: 0

ACD/LogP: 0.23
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: 75 Å2
Polarizability: 4.8±0.5 10-24cm3
Surface Tension: 105.4±7.0 dyne/cm
Molar Volume: 39.1±7.0 cm3

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) = -2.28 boiling Pt, melt Pt, Vapor pressure Estimations (MPBPWIN v1.42): boiling Pt (deg C): 727.34 (Adapted Stein & Brown method) melt Pt (deg C): 318.79 (Mean or weight MP) VP(mm Hg,25 deg C): 5.99E-021 (Modified grain method) Subcooled fluid VP: 1.22E-017 mm Hg (25 deg C, Mod-Grain method) Water Solubility calculation from log in Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log in Kow used: -2.28 (estimated) no-melting pt equation offered Water Sol calculation from Fragments: Wat solar (v1.01 est) = 1.0497e+005 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law constant (25 deg C) : Bond an approach : 1.32E-015 atm-m3/mole team Method: Incomplete Henrys LC : 6.070E-028 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : log in Kow used: -2.28 (KowWin est) log in Kaw used: -13.268 (HenryWin est) log in Koa (KOAWIN v1.10 estimate): 10.988 log Koa (experimental database): nobody Probability of fast Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7109 Biowin2 (Non-Linear Model) : 0.8716 professional Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 3.0290 (weeks ) Biowin4 (Primary survey Model) : 3.7366 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.4737 Biowin6 (MITI Non-Linear Model): 0.6358 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic direct Model): 0.3984 all set Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): framework incompatible with current estimation method! Sorption come aerosols (25 Dec C): Vapor press (liquid/subcooled): 1.63E-015 Pa (1.22E-017 mm Hg) log Koa (Koawin est ): 10.988 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.84E+009 Octanol/air (Koa) model: 0.0239 portion sorbed come airborne particulates (phi): Junge-Pankow design : 1 Mackay version : 1 Octanol/air (Koa) model: 0.656 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate continuous = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation fraction sorbed come airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed portion may be resistant to atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 67.7 log in Koc: 1.831 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : price constants can NOT be estimated for this structure! Bioaccumulation approximates from log in Kow (BCFWIN v2.17): log in BCF native regression-based method = 0.500 (BCF = 3.162) log Kow used: -2.28 (estimated) Volatilization native Water: Henry LC: 1.32E-015 atm-m3/mole (estimated by shortcut SAR Method) Half-Life from design River: 3.893E+011 hrs (1.622E+010 days) Half-Life from design Lake : 4.246E+012 hrs (1.769E+011 days) remove In Wastewater Treatment: full removal: 1.85 percent complete biodegradation: 0.09 percent full sludge adsorption: 1.75 percent full to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: mass Amount Half-Life Emissions (percent) (hr) (kg/hr) wait 1.57 1e+005 1000 Water 39.8 360 1000 soil 58.6 720 1000 Sediment 0.0727 3.24e+003 0 Persistence Time: 531 hr

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