Try beta.chemspider
N-Cyclohexyl-N-ethylbenzenesulfonamide
CCN(C1CCCCC1)S(=O)(=O)c2ccccc2
InChI=1S/C14H21NO2S/c1-2-15(13-9-5-3-6-10-13)18(16,17)14-11-7-4-8-12-14/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3
GLLNBAJSAXXPCW-UHFFFAOYSA-N
CSID:2564902, http://www.chemspider.com/Chemical-Structure.2564902.html (accessed 14:28, Jul 7, 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) = 3.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 377.97 (Adapted Stein & Brown method) Melting Pt (deg C): 127.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.65E-006 (Modified Grain method) Subcooled liquid VP: 2.83E-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): 10.58 log Kow used: 3.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15.138 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.91E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.812E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.81 (KowWin est) Log Kaw used: -3.697 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.507 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7483 Biowin2 (Non-Linear Model) : 0.7332 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6303 (weeks-months) Biowin4 (Primary Survey Model) : 3.4669 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1187 Biowin6 (MITI Non-Linear Model): 0.0435 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0371 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): 0.00377 Pa (2.83E-005 mm Hg) Log Koa (Koawin est ): 7.507 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000795 Octanol/air (Koa) model: 7.89E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0279 Mackay model : 0.0598 Octanol/air (Koa) model: 0.000631 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.6313 E-12 cm3/molecule-sec Half-Life = 0.245 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.942 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0439 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2407 Log Koc: 3.381 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 = 2.232 (BCF = 170.7) log Kow used: 3.81 (estimated) Volatilization from Water: Henry LC: 4.91E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 196.7 hours (8.194 days) Half-Life from Model Lake : 2282 hours (95.1 days) Removal In Wastewater Treatment: Total removal: 22.39 percent Total biodegradation: 0.26 percent Total sludge adsorption: 21.92 percent Total to Air: 0.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.245 5.88 1000 Water 17.1 900 1000 Soil 80.1 1.8e+003 1000 Sediment 2.58 8.1e+003 0 Persistence Time: 1.08e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight