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N~2~-(4-Iodophenyl)-N-(2-methyl-2-butanyl)glycinamide
Ic1ccc(NCC(=O)NC(C)(C)CC)cc1
InChI=1S/C13H19IN2O/c1-4-13(2,3)16-12(17)9-15-11-7-5-10(14)6-8-11/h5-8,15H,4,9H2,1-3H3,(H,16,17)
SNRINKODWOUHRV-UHFFFAOYSA-N
CSID:6738010, http://www.chemspider.com/Chemical-Structure.6738010.html (accessed 18:30, May 12, 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) = 3.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 423.00 (Adapted Stein & Brown method) Melting Pt (deg C): 172.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.79E-008 (Modified Grain method) Subcooled liquid VP: 2.28E-006 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): 6.502 log Kow used: 3.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 324.41 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.00E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.757E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.52 (KowWin est) Log Kaw used: -9.087 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.607 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3834 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9879 (months ) Biowin4 (Primary Survey Model) : 3.1648 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5324 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9123 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): 0.000304 Pa (2.28E-006 mm Hg) Log Koa (Koawin est ): 12.607 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00987 Octanol/air (Koa) model: 0.993 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.263 Mackay model : 0.441 Octanol/air (Koa) model: 0.988 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.7563 E-12 cm3/molecule-sec Half-Life = 0.385 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.624 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.352 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1004 Log Koc: 3.002 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 = 2.007 (BCF = 101.5) log Kow used: 3.52 (estimated) Volatilization from Water: Henry LC: 2E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.447E+007 hours (2.27E+006 days) Half-Life from Model Lake : 5.942E+008 hours (2.476E+007 days) Removal In Wastewater Treatment: Total removal: 13.49 percent Total biodegradation: 0.19 percent Total sludge adsorption: 13.31 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 0.000141 9.25 1000 Water 9.17 1.44e+003 1000 Soil 90 2.88e+003 1000 Sediment 0.83 1.3e+004 0 Persistence Time: 2.83e+003 hr
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