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(2Z)-3-iodoacrylic acid
(Z)-(3)-Iodoacrylic acid
2-propenoic acid, 3-iodo-, (2Z)-
Z-2-Propenoic acid, 3-iodo-
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 245.26 (Adapted Stein & Brown method) Melting Pt (deg C): 46.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0215 (Modified Grain method) Subcooled liquid VP: 0.0339 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): 1.227e+004 log Kow used: 1.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15992 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.63E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.564E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.12 (KowWin est) Log Kaw used: -5.829 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.949 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7260 Biowin2 (Non-Linear Model) : 0.6986 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1263 (weeks ) Biowin4 (Primary Survey Model) : 3.9477 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3167 Biowin6 (MITI Non-Linear Model): 0.1195 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8758 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 4.52 Pa (0.0339 mm Hg) Log Koa (Koawin est ): 6.949 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.64E-007 Octanol/air (Koa) model: 2.18E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.4E-005 Mackay model : 5.31E-005 Octanol/air (Koa) model: 0.000175 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.6524 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 6.3440 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.892 Days (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.686 Days (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 0.012250 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 0.024500 E-17 cm3/molecule-sec [Trans-] Half-Life = 93.551 Days (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 46.775 Days (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 3.85E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.214 Log Koc: 0.345 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 1.12 (estimated) Volatilization from Water: Henry LC: 3.63E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.269E+004 hours (945.6 days) Half-Life from Model Lake : 2.477E+005 hours (1.032E+004 days) Removal In Wastewater Treatment: Total removal: 1.90 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.81 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) Air 0.663 44.5 1000 Water 35.1 360 1000 Soil 64.2 720 1000 Sediment 0.0722 3.24e+003 0 Persistence Time: 551 hr