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Density: 0.7±0.1 g/cm3
Boiling Point: 138.4±7.0 °C in ~ 760 mmHg
Vapour Pressure: 8.4±0.1 mmHg at 25°C
Enthalpy of Vaporization: 36.0±0.8 kJ/mol
Flash Point: 57.3±7.9 °C
Index the Refraction: 1.406
Molar Refractivity: 43.7±0.3 cm3
#H shortcut acceptors: 0
#H link donors: 0
#Freely Rotating Bonds: 4
#Rule that 5 Violations: 1

ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1193.06
ACD/KOC (pH 5.5): 5544.65
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1193.06
ACD/KOC (pH 7.4): 5544.65
Polar surface ar Area: 0 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 22.0±3.0 dyne/cm
Molar Volume: 177.9±3.0 cm3

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

log in Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = 4.61 cook Pt, melting Pt, Vapor push Estimations (MPBPWIN v1.42): boiling Pt (deg C): 115.07 (Adapted Stein & Brown method) melting Pt (deg C): -79.22 (Mean or load MP) VP(mm Hg,25 deg C): 8.69 (Mean VP the Antoine & serial methods) BP (exp database): 138 deg C Water Solubility estimate from log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.11 log Kow used: 4.61 (estimated) no-melting pt equation used Water Sol calculation from Fragments: Wat solar (v1.01 est) = 0.79953 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law continuous (25 deg C) : Bond method : 4.00E+000 atm-m3/mole group Method: 6.89E+000 atm-m3/mole Henrys LC : 4.716E-001 atm-m3/mole log in Octanol-Air Partition Coefficient (25 deg C) : log in Kow used: 4.61 (KowWin est) log Kaw used: 2.214 (HenryWin est) log Koa (KOAWIN v1.10 estimate): 2.396 log Koa (experimental database): none Probability of quick Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6865 Biowin2 (Non-Linear Model) : 0.7663 expert Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 2.9157 (weeks ) Biowin4 (Primary inspection Model) : 3.6627 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI straight Model) : 0.3791 Biowin6 (MITI Non-Linear Model): 0.4974 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic straight Model): 0.2641 all set Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): log in BioHC Half-Life (days) : 0.8834 BioHC Half-Life (days) : 7.6456 Sorption come aerosols (25 Dec C): Vapor push (liquid/subcooled): 1.07E+003 Pa (8.03 mm Hg) log Koa (Koawin est ): 2.396 Kp (particle/gas partition coef. (m3/ug)): Mackay version : 2.8E-009 Octanol/air (Koa) model: 6.11E-011 portion sorbed come airborne particulates (phi): Junge-Pankow design : 1.01E-007 Mackay version : 2.24E-007 Octanol/air (Koa) model: 4.89E-009 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate consistent = 10.3761 E-12 cm3/molecule-sec Half-Life = 1.031 days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.370 Hrs Ozone Reaction: No Ozone Reaction Estimation portion sorbed to airborne particulates (phi): 1.63E-007 (Junge,Mackay) Note: the sorbed fraction may it is in resistant come atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 735.7 log in Koc: 2.867 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants have the right to NOT be approximated for this structure! Bioaccumulation approximates from log Kow (BCFWIN v2.17): log BCF from regression-based an approach = 2.853 (BCF = 712.9) log in Kow used: 4.61 (estimated) Volatilization native Water: Henry LC: 4 atm-m3/mole (estimated by bond SAR Method) Half-Life from model River: 1.156 hours Half-Life from version Lake : 107.6 hrs (4.482 days) removal In Wastewater therapy (recommended preferably 95%): full removal: 99.95 percent complete biodegradation: 0.12 percent total sludge adsorption: 37.07 percent full to Air: 62.76 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: massive Amount Half-Life Emissions (percent) (hr) (kg/hr) waiting 17.6 24.7 1000 Water 50.5 360 1000 floor 7.19 720 1000 Sediment 24.7 3.24e+003 0 Persistence Time: 120 hr

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