- Double-bond stereo
N-[(E)-(4-Methoxyphenyl)methylene]-4-methylbenzenesulfonamide
Cc1ccc(cc1)S(=O)(=O)/N=C/c2ccc(cc2)OC
InChI=1S/C15H15NO3S/c1-12-3-9-15(10-4-12)20(17,18)16-11-13-5-7-14(19-2)8-6-13/h3-11H,1-2H3/b16-11+
NMFPHUIOZBSQGW-LFIBNONCSA-N
CSID:4544680, http://www.chemspider.com/Chemical-Structure.4544680.html (accessed 09:47, Mar 28, 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) = 4.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 416.50 (Adapted Stein & Brown method) Melting Pt (deg C): 155.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.53E-007 (Modified Grain method) Subcooled liquid VP: 3.29E-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): 1.887 log Kow used: 4.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.049033 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.42E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.087E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.54 (KowWin est) Log Kaw used: -4.236 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.776 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7964 Biowin2 (Non-Linear Model) : 0.8488 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4268 (weeks-months) Biowin4 (Primary Survey Model) : 3.4389 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1444 Biowin6 (MITI Non-Linear Model): 0.0495 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1676 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): 0.000439 Pa (3.29E-006 mm Hg) Log Koa (Koawin est ): 8.776 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00684 Octanol/air (Koa) model: 0.000147 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.198 Mackay model : 0.354 Octanol/air (Koa) model: 0.0116 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.8712 E-12 cm3/molecule-sec Half-Life = 0.358 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.297 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.276 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.369E+004 Log Koc: 4.137 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 = 2.794 (BCF = 622.3) log Kow used: 4.54 (estimated) Volatilization from Water: Henry LC: 1.42E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 703.1 hours (29.3 days) Half-Life from Model Lake : 7813 hours (325.5 days) Removal In Wastewater Treatment: Total removal: 58.14 percent Total biodegradation: 0.54 percent Total sludge adsorption: 57.57 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.268 8.59 1000 Water 14.3 900 1000 Soil 73.7 1.8e+003 1000 Sediment 11.8 8.1e+003 0 Persistence Time: 1.26e+003 hr
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