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2-Methyl-2-propanyl (2-iodo-4-methoxyphenyl)carbamate
CC(C)(C)OC(=O)Nc1ccc(cc1I)OC
InChI=1S/C12H16INO3/c1-12(2,3)17-11(15)14-10-6-5-8(16-4)7-9(10)13/h5-7H,1-4H3,(H,14,15)
QVVBFDVJTIYVAU-UHFFFAOYSA-N
CSID:715722, http://www.chemspider.com/Chemical-Structure.715722.html (accessed 07:49, Jun 4, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 353.39 (Adapted Stein & Brown method) Melting Pt (deg C): 114.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.43E-005 (Modified Grain method) Subcooled liquid VP: 0.00011 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): 1.18 log Kow used: 4.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.9385 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.00E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.568E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.36 (KowWin est) Log Kaw used: -7.543 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.903 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1498 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0657 (months ) Biowin4 (Primary Survey Model) : 3.3342 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4650 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0753 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): 0.0147 Pa (0.00011 mm Hg) Log Koa (Koawin est ): 11.903 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000205 Octanol/air (Koa) model: 0.196 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00733 Mackay model : 0.0161 Octanol/air (Koa) model: 0.94 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.5599 E-12 cm3/molecule-sec Half-Life = 0.436 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.226 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0117 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 215.6 Log Koc: 2.334 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.675E-004 L/mol-sec Kb Half-Life at pH 8: 82.109 years Kb Half-Life at pH 7: 821.092 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.659 (BCF = 455.7) log Kow used: 4.36 (estimated) Volatilization from Water: Henry LC: 7E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.563E+006 hours (6.512E+004 days) Half-Life from Model Lake : 1.705E+007 hours (7.104E+005 days) Removal In Wastewater Treatment: Total removal: 48.51 percent Total biodegradation: 0.46 percent Total sludge adsorption: 48.05 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 0.00313 10.5 1000 Water 8.01 1.44e+003 1000 Soil 86.3 2.88e+003 1000 Sediment 5.7 1.3e+004 0 Persistence Time: 3e+003 hr
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