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CSID:56403, http://www.gaianation.net/Chemical-Structure.56403.html (accessed 09:24, Sep 27, 2021) CopyCopied




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Density:
Boiling Point:
Vapour Pressure:
Enthalpy the Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H shortcut acceptors: 0
#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 Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

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

log Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = -0.26 boiling Pt, melt Pt, Vapor push Estimations (MPBPWIN v1.42): boiling Pt (deg C): 499.30 (Adapted Stein & Brown method) melting Pt (deg C): 194.88 (Mean or weighted MP) VP(mm Hg,25 deg C): 4.74E-018 (Modified serial method) MP (exp database): 430 deg C BP (exp database): 720 deg C Subcooled fluid VP: 2.82E-013 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): 1.966e+005 log Kow used: -0.26 (estimated) no-melting pt equation provided Water sol (Exper. Database match) = 2900 mg/L (25 deg C) Exper. Ref: DIXON,D & RISSMANN,E (1985) Water Sol estimate from Fragments: Wat solar (v1.01 est) = 90709 mg/L Wat sol (Exper. Database match) = 2900.00 Exper. Ref: DIXON,D & RISSMANN,E (1985) 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 : 3.141E-024 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : can Not estimate (can no calculate HenryLC) Probability of fast Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7004 Biowin2 (Non-Linear Model) : 0.8324 expert Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 2.9804 (weeks ) Biowin4 (Primary inspection Model) : 3.7049 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.4176 Biowin6 (MITI Non-Linear Model): 0.4177 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): 0.8361 prepared Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): framework incompatible with present estimation method! Sorption come aerosols (25 Dec C): Vapor push (liquid/subcooled): 3.76E-011 Pa (2.82E-013 mm Hg) log in Koa (): not obtainable Kp (particle/gas partition coef. (m3/ug)): Mackay version : 7.98E+004 Octanol/air (Koa) model: not available fraction sorbed to airborne particulates (phi): Junge-Pankow version : 1 Mackay model : 1 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: overall OH Rate continuous = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation fraction sorbed come airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be 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 approximated for this structure! Bioaccumulation estimates from log Kow (BCFWIN v2.17): log BCF indigenous regression-based an approach = 0.500 (BCF = 3.162) log in Kow used: -0.26 (estimated) Volatilization native Water: Henry LC: 3.14E-024 atm-m3/mole (calculated indigenous VP/WS) Half-Life from model River: 1.855E+020 hours (7.729E+018 days) Half-Life from model Lake : 2.024E+021 hours (8.431E+019 days) remove In Wastewater Treatment: total removal: 1.85 percent total biodegradation: 0.09 percent full sludge adsorption: 1.76 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) waiting 2.93e-007 1e+005 1000 Water 38.7 360 1000 floor 61.2 720 1000 Sediment 0.0712 3.24e+003 0 Persistence Time: 581 hr

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