2-[4-(Cyclohexylsulfamoyl)phenoxy]-N-isopropylacetamide
CC(C)NC(=O)COc1ccc(cc1)S(=O)(=O)NC2CCCCC2
InChI=1S/C17H26N2O4S/c1-13(2)18-17(20)12-23-15-8-10-16(11-9-15)24(21,22)19-14-6-4-3-5-7-14/h8-11,13-14,19H,3-7,12H2,1-2H3,(H,18,20)
YQEOFARGQWXGFM-UHFFFAOYSA-N
CSID:869087, http://www.chemspider.com/Chemical-Structure.869087.html (accessed 03:35, Apr 20, 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) = 3.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 524.49 (Adapted Stein & Brown method) Melting Pt (deg C): 224.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.84E-011 (Modified Grain method) Subcooled liquid VP: 6.56E-009 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): 14.35 log Kow used: 3.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 324.39 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.15E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.573E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.05 (KowWin est) Log Kaw used: -10.770 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.820 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9209 Biowin2 (Non-Linear Model) : 0.9486 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3035 (weeks-months) Biowin4 (Primary Survey Model) : 3.6189 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1230 Biowin6 (MITI Non-Linear Model): 0.0267 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7951 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): 8.75E-007 Pa (6.56E-009 mm Hg) Log Koa (Koawin est ): 13.820 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.43 Octanol/air (Koa) model: 16.2 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.992 Mackay model : 0.996 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.0201 E-12 cm3/molecule-sec Half-Life = 0.188 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.251 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.994 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2322 Log Koc: 3.366 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 = 1.652 (BCF = 44.84) log Kow used: 3.05 (estimated) Volatilization from Water: Henry LC: 4.15E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.656E+009 hours (1.107E+008 days) Half-Life from Model Lake : 2.898E+010 hours (1.207E+009 days) Removal In Wastewater Treatment: Total removal: 6.14 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.01 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 0.000634 4.5 1000 Water 12.7 900 1000 Soil 87 1.8e+003 1000 Sediment 0.323 8.1e+003 0 Persistence Time: 1.78e+003 hr
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