Try beta.chemspider
N-(2-Furylmethyl)-5-isopropyl-2-methylbenzenesulfonamide
Cc1ccc(cc1S(=O)(=O)NCc2ccco2)C(C)C
InChI=1S/C15H19NO3S/c1-11(2)13-7-6-12(3)15(9-13)20(17,18)16-10-14-5-4-8-19-14/h4-9,11,16H,10H2,1-3H3
VZYSUPFMFCWUIY-UHFFFAOYSA-N
CSID:1714986, http://www.chemspider.com/Chemical-Structure.1714986.html (accessed 12:36, Apr 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) = 3.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 405.41 (Adapted Stein & Brown method) Melting Pt (deg C): 154.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.92E-007 (Modified Grain method) Subcooled liquid VP: 6.14E-006 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): 6.06 log Kow used: 3.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.5228 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.60E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.860E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.92 (KowWin est) Log Kaw used: -5.184 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.104 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7172 Biowin2 (Non-Linear Model) : 0.4992 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4011 (weeks-months) Biowin4 (Primary Survey Model) : 3.2874 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1345 Biowin6 (MITI Non-Linear Model): 0.0087 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3561 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): 0.000819 Pa (6.14E-006 mm Hg) Log Koa (Koawin est ): 9.104 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00366 Octanol/air (Koa) model: 0.000312 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.117 Mackay model : 0.227 Octanol/air (Koa) model: 0.0243 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 113.0427 E-12 cm3/molecule-sec Half-Life = 0.095 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.135 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.172 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.951E+004 Log Koc: 4.597 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 = 2.316 (BCF = 207.1) log Kow used: 3.92 (estimated) Volatilization from Water: Henry LC: 1.6E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6269 hours (261.2 days) Half-Life from Model Lake : 6.854E+004 hours (2856 days) Removal In Wastewater Treatment: Total removal: 26.55 percent Total biodegradation: 0.29 percent Total sludge adsorption: 26.26 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0888 2.27 1000 Water 16.8 900 1000 Soil 79.9 1.8e+003 1000 Sediment 3.28 8.1e+003 0 Persistence Time: 1.13e+003 hr
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