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CSID:81668, http://www.tasiilaq.net/Chemical-Structure.81668.html (accessed 16:06, Sep 22, 2021) CopyCopied




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Density:
Boiling Point:
Vapour Pressure:
Enthalpy that Vaporization:
Flash Point:
Index the Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H link donors: 0
#Freely Rotating Bonds: 0
#Rule that 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 ar Area: 24 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is produced using the US ecological Protection Agency’s EPISuite™

log Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = 0.33 boil Pt, melting Pt, Vapor push Estimations (MPBPWIN v1.42): boiling Pt (deg C): 669.83 (Adapted Stein & Brown method) melting Pt (deg C): 291.93 (Mean or load MP) VP(mm Hg,25 deg C): 1.15E-015 (Modified grain method) Subcooled liquid VP: 1.07E-012 mm Hg (25 deg C, Mod-Grain method) Water Solubility estimate from log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.75e+004 log Kow used: 0.33 (estimated) no-melting pt equation offered Water Sol estimate from Fragments: Wat solar (v1.01 est) = 72757 mg/L ECOSAR class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law consistent (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 rapid 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 inspection 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 direct Model): 0.3984 all set Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01): framework 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 in Koa (): not easily accessible Kp (particle/gas partition coef. (m3/ug)): Mackay design : 2.1E+004 Octanol/air (Koa) model: not available portion sorbed come airborne particulates (phi): Junge-Pankow model : 1 Mackay design : 1 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate continuous = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- 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 : 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 estimates from log in Kow (BCFWIN v2.17): log in BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.33 (estimated) Volatilization native Water: Henry LC: 9.19E-022 atm-m3/mole (calculated from VP/WS) Half-Life from model River: 4.079E+017 hours (1.7E+016 days) Half-Life from version Lake : 4.45E+018 hours (1.854E+017 days) removed In Wastewater Treatment: total removal: 1.86 percent full biodegradation: 0.09 percent complete sludge adsorption: 1.76 percent total 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) air 3.83e-008 1e+005 1000 Water 37.9 360 1000 floor 62 720 1000 Sediment 0.0707 3.24e+003 0 Persistence Time: 586 hr

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