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Density: 0.7±0.1 g/cm3
Boiling Point: 60.8±9.0 °C at 760 mmHg
Vapour Pressure: 202.9±0.1 mmHg in ~ 25°C
Enthalpy that Vaporization: 29.1±3.0 kJ/mol
Flash Point: -18.8±19.6 °C
Index of Refraction: 1.394
Molar Refractivity: 23.5±0.5 cm3
#H link acceptors: 1
#H shortcut donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0

ACD/LogP: 2.00
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.23
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 3.58
ACD/KOC (pH 7.4): 59.19
Polar surface ar Area: 12 Å2
Polarizability: 9.3±0.5 10-24cm3
Surface Tension: 19.4±7.0 dyne/cm
Molar Volume: 98.2±7.0 cm3

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

log in Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = 2.84 cook Pt, melting Pt, Vapor press Estimations (MPBPWIN v1.42): boil Pt (deg C): 50.52 (Adapted Stein & Brown method) melt Pt (deg C): -119.49 (Mean or weight MP) VP(mm Hg,25 deg C): 287 (Mean VP of Antoine & grain methods) Water Solubility estimate from log in Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 504.7 log Kow used: 2.84 (estimated) no-melting pt equation offered Water Sol estimate from Fragments: Wat solar (v1.01 est) = 1218.4 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law consistent (25 deg C) : Bond method : 8.55E-003 atm-m3/mole team Method: Incomplete Henrys LC : 5.321E-002 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : log Kow used: 2.84 (KowWin est) log in Kaw used: -0.456 (HenryWin est) log in Koa (KOAWIN v1.10 estimate): 3.296 log in Koa (experimental database): no one Probability of fast Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7137 Biowin2 (Non-Linear Model) : 0.8807 expert Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 3.0420 (weeks ) Biowin4 (Primary survey Model) : 3.7451 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.5018 Biowin6 (MITI Non-Linear Model): 0.6296 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): 0.5974 all set Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01): structure incompatible with present estimation method! Sorption to aerosols (25 Dec C): Vapor pressure (liquid/subcooled): 3.79E+004 Pa (284 mm Hg) log in Koa (Koawin est ): 3.296 Kp (particle/gas partition coef. (m3/ug)): Mackay design : 7.92E-011 Octanol/air (Koa) model: 4.85E-010 portion sorbed to airborne particulates (phi): Junge-Pankow model : 2.86E-009 Mackay design : 6.34E-009 Octanol/air (Koa) model: 3.88E-008 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: all at once OH Rate consistent = 0.4706 E-12 cm3/molecule-sec Half-Life = 22.730 work (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation fraction sorbed to airborne particulates (phi): 4.6E-009 (Junge,Mackay) Note: the sorbed fraction may it is in resistant come atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 67.7 log Koc: 1.831 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : price constants have the right to NOT be approximated for this structure! Bioaccumulation approximates from log in Kow (BCFWIN v2.17): log BCF from regression-based an approach = 1.488 (BCF = 30.8) log in Kow used: 2.84 (estimated) Volatilization native Water: Henry LC: 0.00855 atm-m3/mole (estimated by link SAR Method) Half-Life from version River: 0.9183 hrs (55.10 min) Half-Life from model Lake : 80.73 hours (3.364 days) removal In Wastewater Treatment: total removal: 77.42 percent full biodegradation: 0.04 percent total sludge adsorption: 2.44 percent full to Air: 74.94 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: fixed Amount Half-Life Emissions (percent) (hr) (kg/hr) waiting 35.9 546 1000 Water 33.4 360 1000 soil 30.3 720 1000 Sediment 0.416 3.24e+003 0 Persistence Time: 188 hr

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