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Boiling Point:
Vapour Pressure:
Enthalpy that Vaporization:
Flash Point:
Index that Refraction:
Molar Refractivity:
#H link acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations:

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: 24 Å2
Surface Tension:
Molar Volume:

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

log in Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = 0.33 boil Pt, melting Pt, Vapor pressure Estimations (MPBPWIN v1.42): boil Pt (deg C): 669.83 (Adapted Stein & Brown method) melt Pt (deg C): 291.93 (Mean or load MP) VP(mm Hg,25 deg C): 1.15E-015 (Modified serial method) Subcooled fluid VP: 1.07E-012 mm Hg (25 deg C, Mod-Grain method) Water Solubility calculation from log in Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.75e+004 log in Kow used: 0.33 (estimated) no-melting pt equation used Water Sol calculation from Fragments: Wat sol (v1.01 est) = 72757 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law constant (25 deg C) : Bond method : Incomplete team Method: Incomplete Henrys LC : 9.189E-022 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : deserve to Not estimate (can no calculate HenryLC) Probability of fast Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7280 Biowin2 (Non-Linear Model) : 0.9188 professional Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 3.1086 (weeks ) Biowin4 (Primary survey Model) : 3.7886 (days ) MITI Biodegradation Probability: Biowin5 (MITI straight Model) : 0.5809 Biowin6 (MITI Non-Linear Model): 0.8317 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic straight Model): 0.3984 ready Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01): structure incompatible with current estimation method! Sorption to aerosols (25 Dec C): Vapor push (liquid/subcooled): 1.43E-010 Pa (1.07E-012 mm Hg) log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay version : 2.1E+004 Octanol/air (Koa) model: not available fraction sorbed to airborne particulates (phi): Junge-Pankow version : 1 Mackay version : 1 Octanol/air (Koa) model: not easily accessible Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: all at once OH Rate constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation portion sorbed come airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed portion may it is in resistant come atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 log in Koc: 1.155 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants have the right to NOT be estimated for this structure! Bioaccumulation approximates from log Kow (BCFWIN v2.17): log in BCF from regression-based method = 0.500 (BCF = 3.162) log in Kow used: 0.33 (estimated) Volatilization indigenous Water: Henry LC: 9.19E-022 atm-m3/mole (calculated from VP/WS) Half-Life from version River: 4.079E+017 hrs (1.7E+016 days) Half-Life from model Lake : 4.45E+018 hours (1.854E+017 days) remove In Wastewater Treatment: complete removal: 1.86 percent full biodegradation: 0.09 percent full sludge adsorption: 1.76 percent total 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) wait 3.83e-008 1e+005 1000 Water 37.9 360 1000 soil 62 720 1000 Sediment 0.0707 3.24e+003 0 Persistence Time: 586 hr

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