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Density: 0.7±0.1 g/cm3
Boiling Point: 37.5±3.0 °C in ~ 760 mmHg
Vapour Pressure: 484.7±0.0 mmHg in ~ 25°C
Enthalpy that Vaporization: 27.1±0.8 kJ/mol
Flash Point: -45.6±0.0 °C
Index the Refraction: 1.398
Molar Refractivity: 25.3±0.3 cm3
#H link acceptors: 0
#H shortcut donors: 0
#Freely Rotating Bonds: 1
#Rule the 5 Violations: 0

ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.60
ACD/KOC (pH 5.5): 577.39
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.60
ACD/KOC (pH 7.4): 577.39
Polar surface ar Area: 0 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 18.9±3.0 dyne/cm
Molar Volume: 104.7±3.0 cm3

Predicted data is produced using the US environmental Protection Agency’s EPISuite™

log in Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = 2.58 boiling Pt, melt Pt, Vapor pressure Estimations (MPBPWIN v1.42): boiling Pt (deg C): 53.97 (Adapted Stein & Brown method) melting Pt (deg C): -107.14 (Mean or load MP) VP(mm Hg,25 deg C): 507 (Mean VP the Antoine & grain methods) MP (exp database): -140.2 deg C BP (exp database): 36.3 deg C VP (exp database): 5.06E+02 mm Hg at 25 deg C Water Solubility calculation from log Kow (WSKOW v1.41): Water Solubility in ~ 25 deg C (mg/L): 245.1 log Kow used: 2.58 (estimated) no-melting pt equation provided Water sol (Exper. Database match) = 203 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water sol (Exper. Database match) = 203 mg/L (25 deg C) Exper. Ref: MACKAY,D & SHIU,W (1981) Water sol (Exper. Database match) = 203 mg/L (25 deg C) Exper. Ref: YAWS,CL ET AL (1990) Water Sol calculation from Fragments: Wat solar (v1.01 est) = 215.75 mg/L Wat sol (Exper. Database match) = 203.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Wat solar (Exper. Database match) = 203.00 Exper. Ref: MACKAY,D & SHIU,W (1981) Wat sol (Exper. Database match) = 203.00 Exper. Ref: YAWS,CL ET AL (1990) ECOSAR class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law consistent (25 deg C) : Bond method : 3.19E-001 atm-m3/mole group Method: 2.62E-001 atm-m3/mole Exper Database: 2.40E-01 atm-m3/mole Henrys LC : 1.909E-001 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : log Kow used: 2.58 (KowWin est) log in Kaw used: 0.973 (exp database) log Koa (KOAWIN v1.10 estimate): 1.607 log in Koa (experimental database): nobody Probability of quick Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8226 Biowin2 (Non-Linear Model) : 0.9793 professional Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 3.3425 (days-weeks ) Biowin4 (Primary survey Model) : 4.0156 (days ) MITI Biodegradation Probability: Biowin5 (MITI linear Model) : 0.5661 Biowin6 (MITI Non-Linear Model): 0.7362 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): 0.2382 ready Biodegradability Prediction: yes Hydrocarbon Biodegradation (BioHCwin v1.01): log in BioHC Half-Life (days) : 0.3491 BioHC Half-Life (days) : 2.2342 Sorption come aerosols (25 Dec C): Vapor press (liquid/subcooled): 6.75E+004 Pa (506 mm Hg) log Koa (Koawin est ): 1.607 Kp (particle/gas partition coef. (m3/ug)): Mackay version : 4.45E-011 Octanol/air (Koa) model: 9.93E-012 portion sorbed to airborne particulates (phi): Junge-Pankow design : 1.61E-009 Mackay model : 3.56E-009 Octanol/air (Koa) model: 7.94E-010 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: in its entirety OH Rate consistent = 57.6373 E-12 cm3/molecule-sec overall OH Rate consistent = 65.2373 E-12 cm3/molecule-sec Half-Life = 2.227 Hrs (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.967 Hrs (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: overall Ozone Rate consistent = 13.000000 E-17 cm3/molecule-sec overall Ozone Rate continuous = 20.000000 E-17 cm3/molecule-sec Half-Life = 2.116 Hrs (at 7E11 mol/cm3) Half-Life = 1.375 Hrs (at 7E11 mol/cm3) Reaction with Nitrate Radicals might Be Important! fraction sorbed come airborne particulates (phi): 2.58E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant come atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 80.77 log Koc: 1.907 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : price constants have the right to NOT be approximated for this structure! Bioaccumulation estimates from log Kow (BCFWIN v2.17): log BCF from regression-based method = 1.288 (BCF = 19.41) log in Kow used: 2.58 (estimated) Volatilization indigenous Water: Henry LC: 0.24 atm-m3/mole (Henry experimental database) Half-Life from version River: 0.8567 hrs (51.40 min) Half-Life from design Lake : 79.57 hrs (3.315 days) removal In Wastewater treatment (recommended best 95%): total removal: 98.94 percent full biodegradation: 0.02 percent total sludge adsorption: 1.15 percent total to Air: 97.77 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: massive Amount Half-Life Emissions (percent) (hr) (kg/hr) air 1.53 0.711 1000 Water 93.9 208 1000 floor 3.9 416 1000 Sediment 0.621 1.87e+003 0 Persistence Time: 52 hr

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