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1-(2-Chlorophenyl)-N-(6-methyl-2-heptanyl)methanesulfonamide
CC(C)CCCC(C)NS(=O)(=O)Cc1ccccc1Cl
InChI=1S/C15H24ClNO2S/c1-12(2)7-6-8-13(3)17-20(18,19)11-14-9-4-5-10-15(14)16/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3
GECDEOHNYRVFCI-UHFFFAOYSA-N
CSID:2881502, http://www.chemspider.com/Chemical-Structure.2881502.html (accessed 04:45, Jul 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) = 5.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 399.53 (Adapted Stein & Brown method) Melting Pt (deg C): 146.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.99E-007 (Modified Grain method) Subcooled liquid VP: 8.53E-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): 0.483 log Kow used: 5.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.0171 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.02E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.321E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.04 (KowWin est) Log Kaw used: -4.083 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.123 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4138 Biowin2 (Non-Linear Model) : 0.0287 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2901 (weeks-months) Biowin4 (Primary Survey Model) : 3.2238 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2021 Biowin6 (MITI Non-Linear Model): 0.0046 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4477 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): 0.00114 Pa (8.53E-006 mm Hg) Log Koa (Koawin est ): 9.123 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00264 Octanol/air (Koa) model: 0.000326 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.087 Mackay model : 0.174 Octanol/air (Koa) model: 0.0254 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.2751 E-12 cm3/molecule-sec Half-Life = 0.279 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.353 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.131 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.498E+004 Log Koc: 4.544 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 = 3.177 (BCF = 1504) log Kow used: 5.04 (estimated) Volatilization from Water: Henry LC: 2.02E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 518.6 hours (21.61 days) Half-Life from Model Lake : 5807 hours (241.9 days) Removal In Wastewater Treatment: Total removal: 78.94 percent Total biodegradation: 0.69 percent Total sludge adsorption: 78.23 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 0.194 6.71 1000 Water 11.2 900 1000 Soil 60.8 1.8e+003 1000 Sediment 27.8 8.1e+003 0 Persistence Time: 1.47e+003 hr
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