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experimental Physico-chemical nature suspect Physico-chemical properties various Gas color layer analyzer
Density: 1.5±0.1 g/cm3
Boiling Point: 353.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg in ~ 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 167.6±23.2 °C
Index of Refraction: 1.612
Molar Refractivity: 48.2±0.3 cm3
#H link acceptors: 2
#H shortcut donors: 1
#Freely Rotating Bonds: 1
#Rule that 5 Violations: 0

ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.93
ACD/KOC (pH 5.5): 386.96
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.93
ACD/KOC (pH 7.4): 386.96
Polar surface Area: 29 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 138.7±3.0 cm3

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

log Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = 1.99 log in Kow (Exper. Database match) = 2.29 Exper. Ref: Hansch,C et al. (1995) boil Pt, melt Pt, Vapor push Estimations (MPBPWIN v1.42): cook Pt (deg C): 336.35 (Adapted Stein & Brown method) melt Pt (deg C): 116.86 (Mean or weight MP) VP(mm Hg,25 deg C): 9.29E-006 (Modified serial method) MP (exp database): 168 deg C Subcooled fluid VP: 0.000277 mm Hg (25 deg C, Mod-Grain method) Water Solubility calculation from log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 409.7 log in Kow used: 2.29 (expkow database) no-melting pt equation used Water Sol calculation from Fragments: Wat solar (v1.01 est) = 2001 mg/L ECOSAR class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law constant (25 deg C) : Bond an approach : 2.46E-009 atm-m3/mole team Method: Incomplete Henrys LC : 6.387E-009 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : log Kow used: 2.29 (exp database) log Kaw used: -6.998 (HenryWin est) log Koa (KOAWIN v1.10 estimate): 9.288 log Koa (experimental database): none Probability of rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7454 Biowin2 (Non-Linear Model) : 0.7276 professional Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 2.5359 (weeks-months) Biowin4 (Primary survey Model) : 3.5908 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.4020 Biowin6 (MITI Non-Linear Model): 0.3173 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): -0.1931 prepared Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): structure incompatible with present estimation method! Sorption come aerosols (25 Dec C): Vapor push (liquid/subcooled): 0.0369 Pa (0.000277 mm Hg) log in Koa (Koawin est ): 9.288 Kp (particle/gas partition coef. (m3/ug)): Mackay design : 8.12E-005 Octanol/air (Koa) model: 0.000476 fraction sorbed to airborne particulates (phi): Junge-Pankow design : 0.00293 Mackay model : 0.00646 Octanol/air (Koa) model: 0.0367 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate constant = 3.6608 E-12 cm3/molecule-sec Half-Life = 2.922 job (12-hr day; 1.5E6 OH/cm3) Half-Life = 35.061 Hrs Ozone Reaction: No Ozone Reaction Estimation portion sorbed come airborne particulates (phi): 0.00469 (Junge,Mackay) Note: the sorbed portion may it is in resistant to atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 61.72 log Koc: 1.790 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : price constants deserve to NOT be estimated for this structure! Bioaccumulation approximates from log in Kow (BCFWIN v2.17): log BCF from regression-based method = 1.063 (BCF = 11.57) log in Kow used: 2.29 (expkow database) Volatilization from Water: Henry LC: 2.46E-009 atm-m3/mole (estimated by bond SAR Method) Half-Life from model River: 3.482E+005 hrs (1.451E+004 days) Half-Life from design Lake : 3.799E+006 hrs (1.583E+005 days) remove In Wastewater Treatment: complete removal: 2.62 percent full biodegradation: 0.10 percent full sludge adsorption: 2.52 percent full to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: mass Amount Half-Life Emissions (percent) (hr) (kg/hr) air 0.0215 70.1 1000 Water 18.5 900 1000 soil 81.3 1.8e+003 1000 Sediment 0.106 8.1e+003 0 Persistence Time: 1.55e+003 hr

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