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2,5-Dichloro-N-[(1-isopropyl-4-piperidinyl)methyl]benzenesulfonamide
CC(C)N1CCC(CC1)CNS(=O)(=O)c2cc(ccc2Cl)Cl
InChI=1S/C15H22Cl2N2O2S/c1-11(2)19-7-5-12(6-8-19)10-18-22(20,21)15-9-13(16)3-4-14(15)17/h3-4,9,11-12,18H,5-8,10H2,1-2H3
CSVSBRUOHGTWMO-UHFFFAOYSA-N
CSID:21098507, http://www.chemspider.com/Chemical-Structure.21098507.html (accessed 23:51, Jul 6, 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) = 4.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 443.95 (Adapted Stein & Brown method) Melting Pt (deg C): 186.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.43E-008 (Modified Grain method) Subcooled liquid VP: 6.94E-007 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): 18.85 log Kow used: 4.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 35.365 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.09E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.647E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.02 (KowWin est) Log Kaw used: -7.604 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.624 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0035 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7239 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7020 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3316 Biowin6 (MITI Non-Linear Model): 0.0004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.0692 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): 9.25E-005 Pa (6.94E-007 mm Hg) Log Koa (Koawin est ): 11.624 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0324 Octanol/air (Koa) model: 0.103 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.539 Mackay model : 0.722 Octanol/air (Koa) model: 0.892 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 122.9504 E-12 cm3/molecule-sec Half-Life = 0.087 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.044 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.631 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.004E+004 Log Koc: 4.699 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 = 2.394 (BCF = 247.9) log Kow used: 4.02 (estimated) Volatilization from Water: Henry LC: 6.09E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.838E+006 hours (7.656E+004 days) Half-Life from Model Lake : 2.005E+007 hours (8.352E+005 days) Removal In Wastewater Treatment: Total removal: 30.99 percent Total biodegradation: 0.33 percent Total sludge adsorption: 30.66 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00234 2.09 1000 Water 4.3 4.32e+003 1000 Soil 93.8 8.64e+003 1000 Sediment 1.95 3.89e+004 0 Persistence Time: 7.47e+003 hr
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