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Density: 0.7±0.1 g/cm3
Boiling Point: 125.5±7.0 °C at 760 mmHg
Vapour Pressure: 14.7±0.1 mmHg at 25°C
Enthalpy that Vaporization: 34.8±0.8 kJ/mol
Flash Point: 20.9±11.7 °C
Index of Refraction: 1.407
Molar Refractivity: 43.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule that 5 Violations: 0

ACD/LogP: 4.99
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 636.54
ACD/KOC (pH 5.5): 3536.57
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 636.54
ACD/KOC (pH 7.4): 3536.57
Polar surface Area: 0 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 21.6±3.0 dyne/cm
Molar Volume: 177.5±3.0 cm3

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

log Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = 4.58 boil Pt, melt Pt, Vapor push Estimations (MPBPWIN v1.42): cook Pt (deg C): 105.71 (Adapted Stein & Brown method) melting Pt (deg C): -73.25 (Mean or weight MP) VP(mm Hg,25 deg C): 14.3 (Mean VP that Antoine & serial methods) MP (exp database): -120 deg C BP (exp database): 126.5 deg C VP (exp database): 1.59E+01 mm Hg in ~ 25 deg C Water Solubility estimate from log in Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.349 log in Kow used: 4.58 (estimated) no-melting pt equation offered Water Sol estimate from Fragments: Wat sol (v1.01 est) = 1.1742 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law constant (25 deg C) : Bond method : 4.00E+000 atm-m3/mole team Method: 6.89E+000 atm-m3/mole Henrys LC : 7.206E-001 atm-m3/mole log in Octanol-Air Partition Coefficient (25 deg C) : log Kow used: 4.58 (KowWin est) log in Kaw used: 2.214 (HenryWin est) log in Koa (KOAWIN v1.10 estimate): 2.366 log Koa (experimental database): none Probability of fast Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5026 Biowin2 (Non-Linear Model) : 0.3692 skilled Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 2.7036 (weeks-months) Biowin4 (Primary survey Model) : 3.5092 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.4484 Biowin6 (MITI Non-Linear Model): 0.5196 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): -0.0099 ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): log BioHC Half-Life (days) : 1.1037 BioHC Half-Life (days) : 12.6957 Sorption come aerosols (25 Dec C): Vapor pressure (liquid/subcooled): 2.12E+003 Pa (15.9 mm Hg) log in Koa (Koawin est ): 2.366 Kp (particle/gas partition coef. (m3/ug)): Mackay version : 1.42E-009 Octanol/air (Koa) model: 5.7E-011 fraction sorbed come airborne particulates (phi): Junge-Pankow model : 5.11E-008 Mackay design : 1.13E-007 Octanol/air (Koa) model: 4.56E-009 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate consistent = 6.3333 E-12 cm3/molecule-sec Half-Life = 1.689 work (12-hr day; 1.5E6 OH/cm3) Half-Life = 20.266 Hrs Ozone Reaction: No Ozone Reaction Estimation portion sorbed to airborne particulates (phi): 8.22E-008 (Junge,Mackay) Note: the sorbed portion may be resistant come atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 532.4 log Koc: 2.726 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants have the right to NOT be estimated for this structure! Bioaccumulation estimates from log Kow (BCFWIN v2.17): log in BCF native regression-based technique = 2.824 (BCF = 666.9) log Kow used: 4.58 (estimated) Volatilization from Water: Henry LC: 4 atm-m3/mole (estimated by link SAR Method) Half-Life from version River: 1.156 hours Half-Life from design Lake : 107.6 hrs (4.482 days) remove In Wastewater treatment (recommended best 95%): full removal: 99.95 percent total biodegradation: 0.11 percent complete sludge adsorption: 36.09 percent total to Air: 63.75 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: massive Amount Half-Life Emissions (percent) (hr) (kg/hr) air 16.8 40.5 1000 Water 41.5 900 1000 floor 4.42 1.8e+003 1000 Sediment 37.3 8.1e+003 0 Persistence Time: 187 hr

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