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Density: 0.8±0.1 g/cm3
Boiling Point: 104.7±8.0 °C in ~ 760 mmHg
Vapour Pressure: 30.4±0.2 mmHg at 25°C
Enthalpy that Vaporization: 34.4±3.0 kJ/mol
Flash Point: 6.0±8.5 °C
Index that Refraction: 1.417
Molar Refractivity: 38.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule the 5 Violations: 0

ACD/LogP: 2.00
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar surface ar Area: 3 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 23.4±3.0 dyne/cm
Molar Volume: 151.7±3.0 cm3

Predicted data is produced using the US eco-friendly Protection Agency’s EPISuite™

log Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = 1.93 cook Pt, melting Pt, Vapor push Estimations (MPBPWIN v1.42): boil Pt (deg C): 105.02 (Adapted Stein & Brown method) melt Pt (deg C): -69.69 (Mean or load MP) VP(mm Hg,25 deg C): 30.2 (Mean VP that Antoine & grain methods) Water Solubility calculation from log in Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.393e+004 log in Kow used: 1.93 (estimated) no-melting pt equation used Water Sol calculation from Fragments: Wat sol (v1.01 est) = 24402 mg/L ECOSAR class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law constant (25 deg C) : Bond technique : 1.13E-004 atm-m3/mole group Method: Incomplete Henrys LC : 1.913E-004 atm-m3/mole log in Octanol-Air Partition Coefficient (25 deg C) : log Kow used: 1.93 (KowWin est) log Kaw used: -2.335 (HenryWin est) log Koa (KOAWIN v1.10 estimate): 4.265 log Koa (experimental database): no one Probability of quick Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4874 Biowin2 (Non-Linear Model) : 0.2994 skilled Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 2.6897 (weeks-months) Biowin4 (Primary inspection Model) : 3.3935 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.3343 Biowin6 (MITI Non-Linear Model): 0.3093 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): -0.6709 prepared Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): framework incompatible with present estimation method! Sorption come aerosols (25 Dec C): Vapor press (liquid/subcooled): 3.8E+003 Pa (28.5 mm Hg) log Koa (Koawin est ): 4.265 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.89E-010 Octanol/air (Koa) model: 4.52E-009 portion sorbed come airborne particulates (phi): Junge-Pankow version : 2.85E-008 Mackay model : 6.32E-008 Octanol/air (Koa) model: 3.61E-007 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate continuous = 102.0835 E-12 cm3/molecule-sec Half-Life = 0.105 days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.257 Hrs Ozone Reaction: No Ozone Reaction Estimation fraction sorbed come airborne particulates (phi): 4.58E-008 (Junge,Mackay) Note: the sorbed fraction may it is in resistant come atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 169.1 log Koc: 2.228 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants have the right to NOT be estimated for this structure! Bioaccumulation estimates from log in Kow (BCFWIN v2.17): log in BCF indigenous regression-based technique = 0.786 (BCF = 6.105) log Kow used: 1.93 (estimated) Volatilization indigenous Water: Henry LC: 0.000113 atm-m3/mole (estimated by shortcut SAR Method) Half-Life from design River: 6.657 hours Half-Life from version Lake : 162.6 hours (6.776 days) remove In Wastewater Treatment: total removal: 7.51 percent full biodegradation: 0.09 percent full sludge adsorption: 2.00 percent total to Air: 5.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: mass Amount Half-Life Emissions (percent) (hr) (kg/hr) air 0.44 2.52 1000 Water 33 900 1000 soil 66.4 1.8e+003 1000 Sediment 0.118 8.1e+003 0 Persistence Time: 477 hr

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