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Density: 0.7±0.1 g/cm3
Boiling Point: 62.0±7.0 °C at 760 mmHg
Vapour Pressure: 193.8±0.0 mmHg in ~ 25°C
Enthalpy the Vaporization: 29.2±0.8 kJ/mol
Flash Point: -26.1±0.0 °C
Index of Refraction: 1.396
Molar Refractivity: 29.4±0.3 cm3
#H link acceptors: 0
#H link donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0

ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.01
ACD/KOC (pH 5.5): 1128.19
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.01
ACD/KOC (pH 7.4): 1128.19
Polar surface ar Area: 0 Å2
Polarizability: 11.7±0.5 10-24cm3
Surface Tension: 19.1±3.0 dyne/cm
Molar Volume: 122.5±3.0 cm3

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

log in Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = 3.21 cook Pt, melt Pt, Vapor push Estimations (MPBPWIN v1.42): cook Pt (deg C): 62.76 (Adapted Stein & Brown method) melting Pt (deg C): -104.26 (Mean or weighted MP) VP(mm Hg,25 deg C): 175 (Mean VP that Antoine & serial methods) MP (exp database): -131.5 deg C BP (exp database): 64.7 deg C VP (exp database): 1.75E+02 mm Hg at 25 deg C Water Solubility estimate from log in Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 67.91 log in Kow used: 3.21 (estimated) no-melting pt equation used Water Sol calculation from Fragments: Wat solar (v1.01 est) = 57.788 mg/L ECOSAR class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law consistent (25 deg C) : Bond technique : 4.23E-001 atm-m3/mole team Method: 6.74E-001 atm-m3/mole Henrys LC : 2.854E-001 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : log in Kow used: 3.21 (KowWin est) log Kaw used: 1.238 (HenryWin est) log Koa (KOAWIN v1.10 estimate): 1.972 log Koa (experimental database): nobody Probability of fast Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7075 Biowin2 (Non-Linear Model) : 0.8598 experienced Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 3.0132 (weeks ) Biowin4 (Primary inspection Model) : 3.7263 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.5738 Biowin6 (MITI Non-Linear Model): 0.7409 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic direct Model): 0.5819 ready Biodegradability Prediction: correctly Hydrocarbon Biodegradation (BioHCwin v1.01): log in BioHC Half-Life (days) : 0.4155 BioHC Half-Life (days) : 2.6033 Sorption come aerosols (25 Dec C): Vapor pressure (liquid/subcooled): 2.33E+004 Pa (175 mm Hg) log in Koa (Koawin est ): 1.972 Kp (particle/gas partition coef. (m3/ug)): Mackay design : 1.29E-010 Octanol/air (Koa) model: 2.3E-011 fraction sorbed to airborne particulates (phi): Junge-Pankow version : 4.64E-009 Mackay design : 1.03E-008 Octanol/air (Koa) model: 1.84E-009 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: overall OH Rate consistent = 53.6026 E-12 cm3/molecule-sec Half-Life = 0.200 job (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.395 Hrs Ozone Reaction: in its entirety Ozone Rate continuous = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 job (at 7E11 mol/cm3) Half-Life = 22.920 Hrs fraction sorbed come airborne particulates (phi): 7.46E-009 (Junge,Mackay) Note: the sorbed portion may it is in resistant come atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 130.8 log Koc: 2.117 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants have the right to NOT be approximated for this structure! Bioaccumulation estimates from log in Kow (BCFWIN v2.17): log in BCF native regression-based technique = 1.770 (BCF = 58.89) log Kow used: 3.21 (estimated) Volatilization native Water: Henry LC: 0.423 atm-m3/mole (estimated by shortcut SAR Method) Half-Life from version River: 0.9374 hrs (56.24 min) Half-Life from model Lake : 87.15 hrs (3.631 days) removed In Wastewater treatment (recommended preferably 95%): complete removal: 99.41 percent full biodegradation: 0.03 percent complete sludge adsorption: 3.87 percent complete to Air: 95.51 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: fixed Amount Half-Life Emissions (percent) (hr) (kg/hr) waiting 6.2 3.96 1000 Water 86.3 360 1000 soil 5.3 720 1000 Sediment 2.15 3.24e+003 0 Persistence Time: 71.1 hr

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