Try beta.chemspider
N-(4-Methoxyphenyl)methanesulfonamide
COc1ccc(cc1)NS(=O)(=O)C
InChI=1S/C8H11NO3S/c1-12-8-5-3-7(4-6-8)9-13(2,10)11/h3-6,9H,1-2H3
SPLQTGUKDMGUSV-UHFFFAOYSA-N
CSID:691846, http://www.chemspider.com/Chemical-Structure.691846.html (accessed 22:32, Apr 25, 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) = 1.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 324.34 (Adapted Stein & Brown method) Melting Pt (deg C): 99.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0001 (Modified Grain method) Subcooled liquid VP: 0.000531 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): 3555 log Kow used: 1.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9976.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.90E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.448E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.27 (KowWin est) Log Kaw used: -5.550 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.820 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7836 Biowin2 (Non-Linear Model) : 0.9168 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6963 (weeks-months) Biowin4 (Primary Survey Model) : 3.6345 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3424 Biowin6 (MITI Non-Linear Model): 0.1913 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4732 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): 0.0708 Pa (0.000531 mm Hg) Log Koa (Koawin est ): 6.820 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.24E-005 Octanol/air (Koa) model: 1.62E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00153 Mackay model : 0.00338 Octanol/air (Koa) model: 0.00013 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.7899 E-12 cm3/molecule-sec Half-Life = 0.276 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.309 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00245 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 31.56 Log Koc: 1.499 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 = 0.277 (BCF = 1.893) log Kow used: 1.27 (estimated) Volatilization from Water: Henry LC: 6.9E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.204E+004 hours (501.6 days) Half-Life from Model Lake : 1.314E+005 hours (5477 days) Removal In Wastewater Treatment: Total removal: 1.92 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.83 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 0.314 6.62 1000 Water 42.5 900 1000 Soil 57.1 1.8e+003 1000 Sediment 0.0967 8.1e+003 0 Persistence Time: 751 hr
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