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N-(3-Hydroxy-4-pyridinyl)-2,2-dimethylpropanamide
CC(C)(C)C(=O)NC1=C(C=NC=C1)O
InChI=1S/C10H14N2O2/c1-10(2,3)9(14)12-7-4-5-11-6-8(7)13/h4-6,13H,1-3H3,(H,11,12,14)
HZNFSZMIMUTCGG-UHFFFAOYSA-N
CSID:8211084, http://www.chemspider.com/Chemical-Structure.8211084.html (accessed 22:24, Apr 28, 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) = 1.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 369.43 (Adapted Stein & Brown method) Melting Pt (deg C): 151.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.68E-007 (Modified Grain method) Subcooled liquid VP: 1.11E-005 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): 3266 log Kow used: 1.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9879 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.97E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.445E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.35 (KowWin est) Log Kaw used: -13.094 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.444 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6425 Biowin2 (Non-Linear Model) : 0.6199 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3458 (weeks-months) Biowin4 (Primary Survey Model) : 3.6404 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3852 Biowin6 (MITI Non-Linear Model): 0.2059 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1308 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): 0.00148 Pa (1.11E-005 mm Hg) Log Koa (Koawin est ): 14.444 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00203 Octanol/air (Koa) model: 68.2 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0682 Mackay model : 0.14 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.0395 E-12 cm3/molecule-sec Half-Life = 2.122 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.469 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.104 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 277.6 Log Koc: 2.443 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 = 0.343 (BCF = 2.201) log Kow used: 1.35 (estimated) Volatilization from Water: Henry LC: 1.97E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.142E+011 hours (1.726E+010 days) Half-Life from Model Lake : 4.519E+012 hours (1.883E+011 days) Removal In Wastewater Treatment: Total removal: 1.94 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.84 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 2.57e-008 50.9 1000 Water 35.6 900 1000 Soil 64.3 1.8e+003 1000 Sediment 0.0837 8.1e+003 0 Persistence Time: 1.14e+003 hr
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