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N-Cyclohexyl-4-methoxy-3-methylbenzenesulfonamide
Cc1cc(ccc1OC)S(=O)(=O)NC2CCCCC2
InChI=1S/C14H21NO3S/c1-11-10-13(8-9-14(11)18-2)19(16,17)15-12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3
OCDCZINIWUEMFY-UHFFFAOYSA-N
CSID:740766, http://www.chemspider.com/Chemical-Structure.740766.html (accessed 07:30, May 8, 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) = 3.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 400.43 (Adapted Stein & Brown method) Melting Pt (deg C): 147.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.6E-007 (Modified Grain method) Subcooled liquid VP: 8.11E-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): 9.919 log Kow used: 3.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 24.112 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.10E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.729E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.73 (KowWin est) Log Kaw used: -5.347 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.077 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7992 Biowin2 (Non-Linear Model) : 0.8594 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4399 (weeks-months) Biowin4 (Primary Survey Model) : 3.4475 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2419 Biowin6 (MITI Non-Linear Model): 0.0696 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2842 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): 0.00108 Pa (8.11E-006 mm Hg) Log Koa (Koawin est ): 9.077 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00277 Octanol/air (Koa) model: 0.000293 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0911 Mackay model : 0.182 Octanol/air (Koa) model: 0.0229 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.9624 E-12 cm3/molecule-sec Half-Life = 0.261 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.133 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.136 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1142 Log Koc: 3.058 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 = 2.175 (BCF = 149.7) log Kow used: 3.73 (estimated) Volatilization from Water: Henry LC: 1.1E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8962 hours (373.4 days) Half-Life from Model Lake : 9.791E+004 hours (4079 days) Removal In Wastewater Treatment: Total removal: 19.41 percent Total biodegradation: 0.24 percent Total sludge adsorption: 19.17 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 0.191 6.27 1000 Water 16 900 1000 Soil 81.8 1.8e+003 1000 Sediment 2 8.1e+003 0 Persistence Time: 1.2e+003 hr
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