Try beta.chemspider
2,4-Dichloro-N-cycloheptylbenzenesulfonamide
c1cc(c(cc1Cl)Cl)S(=O)(=O)NC2CCCCCC2
InChI=1S/C13H17Cl2NO2S/c14-10-7-8-13(12(15)9-10)19(17,18)16-11-5-3-1-2-4-6-11/h7-9,11,16H,1-6H2
ZAPYIYIYGITAMY-UHFFFAOYSA-N
CSID:3079985, http://www.chemspider.com/Chemical-Structure.3079985.html (accessed 04:38, Jul 15, 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) = 4.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 415.24 (Adapted Stein & Brown method) Melting Pt (deg C): 159.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.49E-007 (Modified Grain method) Subcooled liquid VP: 3.53E-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): 0.6104 log Kow used: 4.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.7686 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.23E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.035E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.89 (KowWin est) Log Kaw used: -4.299 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.189 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2293 Biowin2 (Non-Linear Model) : 0.0037 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0738 (months ) Biowin4 (Primary Survey Model) : 3.0521 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0788 Biowin6 (MITI Non-Linear Model): 0.0038 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9354 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): 0.000471 Pa (3.53E-006 mm Hg) Log Koa (Koawin est ): 9.189 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00637 Octanol/air (Koa) model: 0.000379 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.187 Mackay model : 0.338 Octanol/air (Koa) model: 0.0295 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.9803 E-12 cm3/molecule-sec Half-Life = 0.297 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.567 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.262 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4792 Log Koc: 3.681 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 = 3.062 (BCF = 1154) log Kow used: 4.89 (estimated) Volatilization from Water: Henry LC: 1.23E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 856.3 hours (35.68 days) Half-Life from Model Lake : 9492 hours (395.5 days) Removal In Wastewater Treatment: Total removal: 73.92 percent Total biodegradation: 0.65 percent Total sludge adsorption: 73.26 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.134 7.14 1000 Water 9.35 1.44e+003 1000 Soil 68.1 2.88e+003 1000 Sediment 22.4 1.3e+004 0 Persistence Time: 2.16e+003 hr
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