N~2~-(4-Biphenylylsulfonyl)-N-hydroxy-N~2~-isopropoxyglycinamide
CC(C)ON(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)
PHGLPDURIUEELR-UHFFFAOYSA-N
CSID:8219885, http://www.chemspider.com/Chemical-Structure.8219885.html (accessed 15:37, Mar 29, 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) = 1.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 589.51 (Adapted Stein & Brown method) Melting Pt (deg C): 254.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.92E-016 (Modified Grain method) Subcooled liquid VP: 3.14E-013 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): 136.8 log Kow used: 1.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 218.29 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.88E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.477E-018 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.84 (KowWin est) Log Kaw used: -13.700 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.540 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7021 Biowin2 (Non-Linear Model) : 0.4093 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4159 (weeks-months) Biowin4 (Primary Survey Model) : 3.3269 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2985 Biowin6 (MITI Non-Linear Model): 0.0014 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1036 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): 4.19E-011 Pa (3.14E-013 mm Hg) Log Koa (Koawin est ): 15.540 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.17E+004 Octanol/air (Koa) model: 851 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.8100 E-12 cm3/molecule-sec Half-Life = 0.636 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.635 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.213E+005 Log Koc: 5.084 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 = 0.714 (BCF = 5.178) log Kow used: 1.84 (estimated) Volatilization from Water: Henry LC: 4.88E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.29E+012 hours (9.543E+010 days) Half-Life from Model Lake : 2.499E+013 hours (1.041E+012 days) Removal In Wastewater Treatment: Total removal: 2.12 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.03 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 0.0229 15.3 1000 Water 26.3 900 1000 Soil 73.6 1.8e+003 1000 Sediment 0.0856 8.1e+003 0 Persistence Time: 1.31e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight