N-{4-[(3,4-Dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}acetamide
Cc1c(noc1NS(=O)(=O)c2ccc(cc2)NC(=O)C)C
InChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16-21(18,19)12-6-4-11(5-7-12)14-10(3)17/h4-7,16H,1-3H3,(H,14,17)
UTVCPAPWORAKEV-UHFFFAOYSA-N
CSID:141236, http://www.chemspider.com/Chemical-Structure.141236.html (accessed 04:05, Mar 28, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 502.47 (Adapted Stein & Brown method) Melting Pt (deg C): 213.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.33E-010 (Modified Grain method) Subcooled liquid VP: 2.38E-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): 343.3 log Kow used: 1.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 86.464 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.42E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.763E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.75 (KowWin est) Log Kaw used: -12.854 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.604 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9198 Biowin2 (Non-Linear Model) : 0.9214 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3117 (weeks-months) Biowin4 (Primary Survey Model) : 3.4698 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0347 Biowin6 (MITI Non-Linear Model): 0.0121 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9366 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): 3.17E-006 Pa (2.38E-008 mm Hg) Log Koa (Koawin est ): 14.604 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.945 Octanol/air (Koa) model: 98.6 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.972 Mackay model : 0.987 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.1286 E-12 cm3/molecule-sec Half-Life = 0.882 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.583 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.979 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2198 Log Koc: 3.342 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 = 0.651 (BCF = 4.481) log Kow used: 1.75 (estimated) Volatilization from Water: Henry LC: 3.42E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.011E+011 hours (1.255E+010 days) Half-Life from Model Lake : 3.285E+012 hours (1.369E+011 days) Removal In Wastewater Treatment: Total removal: 2.07 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.98 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 1.92e-006 21.2 1000 Water 27.9 900 1000 Soil 72 1.8e+003 1000 Sediment 0.0838 8.1e+003 0 Persistence Time: 1.3e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight