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| Density: | |
| Boiling Point: | |
| Vapour Pressure: | |
| Enthalpy the Vaporization: | |
| Flash Point: | |
| Index that Refraction: | |
| Molar Refractivity: | |
| #H shortcut acceptors: | 0 |
| #H shortcut donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule the 5 Violations: | |
| ACD/LogP: | |
| ACD/LogD (pH 5.5): | |
| ACD/BCF (pH 5.5): | |
| ACD/KOC (pH 5.5): | |
| ACD/LogD (pH 7.4): | |
| ACD/BCF (pH 7.4): | |
| ACD/KOC (pH 7.4): | |
| Polar surface Area: | 0 Å2 |
| Polarizability: | |
| Surface Tension: | |
| Molar Volume: | |
Predicted data is produced using the US environmental Protection Agency’s EPISuite™
log Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = -2.78 boiling Pt, melt Pt, Vapor push Estimations (MPBPWIN v1.42): boiling Pt (deg C): 583.71 (Adapted Stein & Brown method) melt Pt (deg C): 251.70 (Mean or weight MP) VP(mm Hg,25 deg C): 2.62E-012 (Modified serial method) Subcooled fluid VP: 7.69E-010 mm Hg (25 deg C, Mod-Grain method) Water Solubility calculation from log in Kow (WSKOW v1.41): Water Solubility in ~ 25 deg C (mg/L): 1e+006 log Kow used: -2.78 (estimated) no-melting pt equation offered Water Sol estimate from Fragments: Wat solar (v1.01 est) = 1.3437e+005 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law constant (25 deg C) : Bond technique : Incomplete team Method: Incomplete Henrys LC : 5.402E-019 atm-m3/mole log in Octanol-Air Partition Coefficient (25 deg C) : have the right to Not calculation (can not calculate HenryLC) Probability of rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6729 Biowin2 (Non-Linear Model) : 0.6864 skilled Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 2.8529 (weeks ) Biowin4 (Primary survey Model) : 3.6216 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.4130 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic direct Model): 0.8361 prepared Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): structure incompatible with present estimation method! Sorption come aerosols (25 Dec C): Vapor press (liquid/subcooled): 1.03E-007 Pa (7.69E-010 mm Hg) log Koa (): not accessible Kp (particle/gas partition coef. (m3/ug)): Mackay version : 29.3 Octanol/air (Koa) model: not available fraction sorbed come airborne particulates (phi): Junge-Pankow version : 0.999 Mackay version : 1 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate consistent = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may it is in resistant to atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.74 log Koc: 1.376 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 BCF from regression-based an approach = 0.500 (BCF = 3.162) log in Kow used: -2.78 (estimated) Volatilization indigenous Water: Henry LC: 5.4E-019 atm-m3/mole (calculated native VP/WS) Half-Life from model River: 1.357E+015 hours (5.653E+013 days) Half-Life from version Lake : 1.48E+016 hrs (6.167E+014 days) removed In Wastewater Treatment: full removal: 1.85 percent complete biodegradation: 0.09 percent total sludge adsorption: 1.75 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 2.51e-008 1e+005 1000 Water 39 360 1000 floor 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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