N-Cyclooctyl-2,2-diphenylacetamide
c1ccc(cc1)C(c2ccccc2)C(=O)NC3CCCCCCC3
InChI=1S/C22H27NO/c24-22(23-20-16-10-2-1-3-11-17-20)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20-21H,1-3,10-11,16-17H2,(H,23,24)
JQFBMNFSSOPXOH-UHFFFAOYSA-N
CSID:1696650, http://www.chemspider.com/Chemical-Structure.1696650.html (accessed 14:20, Mar 28, 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) = 5.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 483.22 (Adapted Stein & Brown method) Melting Pt (deg C): 198.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.09E-009 (Modified Grain method) Subcooled liquid VP: 7.27E-008 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): 0.08438 log Kow used: 5.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.68865 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.13E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.464E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.90 (KowWin est) Log Kaw used: -7.678 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.578 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1155 Biowin2 (Non-Linear Model) : 0.9951 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4037 (weeks-months) Biowin4 (Primary Survey Model) : 3.5306 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1054 Biowin6 (MITI Non-Linear Model): 0.0532 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1317 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): 9.69E-006 Pa (7.27E-008 mm Hg) Log Koa (Koawin est ): 13.578 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.309 Octanol/air (Koa) model: 9.29 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.918 Mackay model : 0.961 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.1318 E-12 cm3/molecule-sec Half-Life = 0.281 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.366 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.94 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.939E+005 Log Koc: 5.288 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 = 3.841 (BCF = 6938) log Kow used: 5.90 (estimated) Volatilization from Water: Henry LC: 5.13E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.046E+006 hours (8.526E+004 days) Half-Life from Model Lake : 2.232E+007 hours (9.301E+005 days) Removal In Wastewater Treatment: Total removal: 91.68 percent Total biodegradation: 0.77 percent Total sludge adsorption: 90.91 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 0.0263 6.73 1000 Water 3.81 900 1000 Soil 47.6 1.8e+003 1000 Sediment 48.5 8.1e+003 0 Persistence Time: 3.01e+003 hr
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