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Density: 3.0±0.1 g/cm3
Boiling Point: 154.0±9.0 °C at 760 mmHg
Vapour Pressure: 4.2±0.3 mmHg at 25°C
Enthalpy the Vaporization: 37.9±0.0 kJ/mol
Flash Point:
Index the Refraction: 1.631
Molar Refractivity: 41.7±0.3 cm3
#H link acceptors: 0
#H link donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1

ACD/LogP: 5.86
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: 16.5±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 117.0±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) = 2.13 boiling Pt, melting Pt, Vapor push Estimations (MPBPWIN v1.42): cook Pt (deg C): 587.92 (Adapted Stein & Brown method) melt Pt (deg C): 253.67 (Mean or weighted MP) VP(mm Hg,25 deg C): 4.91E-013 (Modified serial method) Subcooled liquid VP: 1.52E-010 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): 97.38 log Kow used: 2.13 (estimated) no-melting pt equation supplied Water Sol calculation from Fragments: Wat solar (v1.01 est) = 13.493 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law consistent (25 deg C) : Bond technique : 1.54E-005 atm-m3/mole team Method: Incomplete Henrys LC : 2.307E-015 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : log Kow used: 2.13 (KowWin est) log Kaw used: -3.201 (HenryWin est) log in Koa (KOAWIN v1.10 estimate): 5.331 log in Koa (experimental database): none Probability of fast Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5820 Biowin2 (Non-Linear Model) : 0.1269 expert Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 2.4308 (weeks-months) Biowin4 (Primary inspection Model) : 3.3461 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI straight Model) : -0.3223 Biowin6 (MITI Non-Linear Model): 0.0005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic direct Model): 0.8361 all set Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): structure incompatible with present estimation method! Sorption to aerosols (25 Dec C): Vapor pressure (liquid/subcooled): 2.03E-008 Pa (1.52E-010 mm Hg) log Koa (Koawin est ): 5.331 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 148 Octanol/air (Koa) model: 5.26E-008 fraction sorbed to airborne particulates (phi): Junge-Pankow design : 1 Mackay design : 1 Octanol/air (Koa) model: 4.21E-006 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate consistent = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed portion may be resistant to atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.64 log Koc: 1.687 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants have the right to NOT be estimated for this structure! Bioaccumulation approximates from log Kow (BCFWIN v2.17): log in BCF indigenous regression-based method = 0.939 (BCF = 8.684) log Kow used: 2.13 (estimated) Volatilization native Water: Henry LC: 1.54E-005 atm-m3/mole (estimated by shortcut SAR Method) Half-Life from version River: 72.79 hours (3.033 days) Half-Life from version Lake : 950.5 hrs (39.6 days) removed In Wastewater Treatment: complete removal: 3.21 percent complete biodegradation: 0.10 percent full sludge adsorption: 2.27 percent complete to Air: 0.85 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: fixed Amount Half-Life Emissions (percent) (hr) (kg/hr) waiting 0.838 1e+005 1000 Water 20.6 900 1000 soil 78.4 1.8e+003 1000 Sediment 0.0938 8.1e+003 0 Persistence Time: 1.33e+003 hr

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