N-(1,3-Dihydroxy-2-methyl-2-propanyl)benzamide
O=C(NC(C)(CO)CO)c1ccccc1 CopyCopied
InChI=1S/C11H15NO3/c1-11(7-13,8-14)12-10(15)9-5-3-2-4-6-9/h2-6,13-14H,7-8H2,1H3,(H,12,15) CopyCopied
CFLRHSNXFVBUKF-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
N-[2-hydroxy-1-(hydroxymethyl)-isopropyl]benzamide
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 416.07 (Adapted Stein & Brown method) Melting Pt (deg C): 164.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.25E-010 (Modified Grain method) Subcooled liquid VP: 2.51E-008 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): 9029 log Kow used: 0.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.3464e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.52E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.821E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.75 (KowWin est) Log Kaw used: -12.207 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.957 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1197 Biowin2 (Non-Linear Model) : 0.9936 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8124 (weeks ) Biowin4 (Primary Survey Model) : 3.8616 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7465 Biowin6 (MITI Non-Linear Model): 0.7785 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0871 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.35E-006 Pa (2.51E-008 mm Hg) Log Koa (Koawin est ): 12.957 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.896 Octanol/air (Koa) model: 2.22 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.97 Mackay model : 0.986 Octanol/air (Koa) model: 0.994 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.7665 E-12 cm3/molecule-sec Half-Life = 0.678 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.141 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.978 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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: 0.75 (estimated) Volatilization from Water: Henry LC: 1.52E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.572E+010 hours (2.322E+009 days) Half-Life from Model Lake : 6.078E+011 hours (2.533E+010 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 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 1.45e-005 16.3 1000 Water 36.3 360 1000 Soil 63.6 720 1000 Sediment 0.0699 3.24e+003 0 Persistence Time: 597 hr
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