Try beta.chemspider
4-Methyl-N-phenylbenzenesulfonamide
Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2
InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
VLVCWODDMDGANW-UHFFFAOYSA-N
CSID:2362, http://www.chemspider.com/Chemical-Structure.2362.html (accessed 17:09, Apr 26, 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) = 3.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 386.15 (Adapted Stein & Brown method) Melting Pt (deg C): 141.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.19E-006 (Modified Grain method) Subcooled liquid VP: 1.8E-005 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): 47.16 log Kow used: 3.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.6638 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.57E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.211E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.18 (KowWin est) Log Kaw used: -4.979 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.159 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8126 Biowin2 (Non-Linear Model) : 0.8668 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5998 (weeks-months) Biowin4 (Primary Survey Model) : 3.4273 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0918 Biowin6 (MITI Non-Linear Model): 0.0382 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1764 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): 0.0024 Pa (1.8E-005 mm Hg) Log Koa (Koawin est ): 8.159 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00125 Octanol/air (Koa) model: 3.54E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0432 Mackay model : 0.0909 Octanol/air (Koa) model: 0.00282 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.8822 E-12 cm3/molecule-sec Half-Life = 0.244 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.925 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0671 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1743 Log Koc: 3.241 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 = 1.748 (BCF = 55.99) log Kow used: 3.18 (estimated) Volatilization from Water: Henry LC: 2.57E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3584 hours (149.3 days) Half-Life from Model Lake : 3.923E+004 hours (1635 days) Removal In Wastewater Treatment: Total removal: 7.56 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.41 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 0.22 5.85 1000 Water 18.1 900 1000 Soil 81 1.8e+003 1000 Sediment 0.621 8.1e+003 0 Persistence Time: 1.09e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight