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N-[2-(4-Sulfamoylphenyl)ethyl]acetamide
CC(=O)NCCc1ccc(cc1)S(=O)(=O)N
InChI=1S/C10H14N2O3S/c1-8(13)12-7-6-9-2-4-10(5-3-9)16(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)
IIMGUEXQORZTID-UHFFFAOYSA-N
CSID:652268, http://www.chemspider.com/Chemical-Structure.652268.html (accessed 15:28, May 19, 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) = -0.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 442.11 (Adapted Stein & Brown method) Melting Pt (deg C): 185.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.62E-008 (Modified Grain method) Subcooled liquid VP: 7.71E-007 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): 1618 log Kow used: -0.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 29733 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.06E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.192E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.12 (KowWin est) Log Kaw used: -11.075 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.955 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8970 Biowin2 (Non-Linear Model) : 0.9446 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5347 (weeks-months) Biowin4 (Primary Survey Model) : 3.6351 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1449 Biowin6 (MITI Non-Linear Model): 0.0585 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2889 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): 0.000103 Pa (7.71E-007 mm Hg) Log Koa (Koawin est ): 10.955 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0292 Octanol/air (Koa) model: 0.0221 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.513 Mackay model : 0.7 Octanol/air (Koa) model: 0.639 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.4968 E-12 cm3/molecule-sec Half-Life = 0.856 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.271 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.607 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 523.6 Log Koc: 2.719 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: -0.12 (estimated) Volatilization from Water: Henry LC: 2.06E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.424E+009 hours (1.843E+008 days) Half-Life from Model Lake : 4.826E+010 hours (2.011E+009 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 6.99e-006 20.5 1000 Water 45.9 900 1000 Soil 54 1.8e+003 1000 Sediment 0.0888 8.1e+003 0 Persistence Time: 979 hr
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