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Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index the Refraction:
Molar Refractivity:
#H link acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule that 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: 54 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) = -4.63 boil Pt, melt Pt, Vapor press Estimations (MPBPWIN v1.42): boil Pt (deg C): 534.21 (Adapted Stein & Brown method) melt Pt (deg C): 212.06 (Mean or weighted MP) VP(mm Hg,25 deg C): 1.71E-013 (Modified serial method) Subcooled liquid VP: 1.66E-011 mm Hg (25 deg C, Mod-Grain method) Water Solubility estimate from log Kow (WSKOW v1.41): Water Solubility in ~ 25 deg C (mg/L): 1e+006 log Kow used: -4.63 (estimated) no-melting pt equation supplied Water Sol estimate from Fragments: Wat solar (v1.01 est) = 1e+006 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law constant (25 deg C) : Bond an approach : Incomplete group Method: Incomplete Henrys LC : 3.958E-020 atm-m3/mole log in Octanol-Air Partition Coefficient (25 deg C) : deserve to Not calculation (can not calculate HenryLC) Probability of fast Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6638 Biowin2 (Non-Linear Model) : 0.6250 expert Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 2.8104 (weeks ) Biowin4 (Primary inspection Model) : 3.5939 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.1888 Biowin6 (MITI Non-Linear Model): 0.0722 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): 2.21E-009 Pa (1.66E-011 mm Hg) log Koa (): not accessible Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.36E+003 Octanol/air (Koa) model: not available fraction sorbed come airborne particulates (phi): Junge-Pankow version : 1 Mackay design : 1 Octanol/air (Koa) model: not obtainable Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate consistent = 0.1400 E-12 cm3/molecule-sec Half-Life = 76.400 days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed portion may it is in resistant to atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 log in Koc: 1.545 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : price constants can NOT be estimated for this structure! Bioaccumulation estimates from log Kow (BCFWIN v2.17): log BCF indigenous regression-based method = 0.500 (BCF = 3.162) log Kow used: -4.63 (estimated) Volatilization from Water: Henry LC: 3.96E-020 atm-m3/mole (calculated from VP/WS) Half-Life from model River: 1.962E+016 hours (8.175E+014 days) Half-Life from version Lake : 2.14E+017 hours (8.918E+015 days) removed In Wastewater Treatment: total removal: 1.85 percent total biodegradation: 0.09 percent complete sludge adsorption: 1.75 percent full to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: massive Amount Half-Life Emissions (percent) (hr) (kg/hr) wait 6.93e-008 1.83e+003 1000 Water 39 360 1000 soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr

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