2,2-Diphenyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}acetamide
c1ccc(cc1)C(c2ccccc2)C(=O)NCC3(CCCCC3)N4CCCCC4
InChI=1S/C26H34N2O/c29-25(24(22-13-5-1-6-14-22)23-15-7-2-8-16-23)27-21-26(17-9-3-10-18-26)28-19-11-4-12-20-28/h1-2,5-8,13-16,24H,3-4,9-12,17-21H2,(H,27,29)
PRSZFWAQZKCJHJ-UHFFFAOYSA-N
CSID:3735252, http://www.chemspider.com/Chemical-Structure.3735252.html (accessed 17:52, Nov 30, 2023)
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) = 5.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 543.48 (Adapted Stein & Brown method) Melting Pt (deg C): 232.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.24E-011 (Modified Grain method) Subcooled liquid VP: 2.14E-009 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): 0.07232 log Kow used: 5.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.0349 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.98E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.811E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.49 (KowWin est) Log Kaw used: -11.092 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.582 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6934 Biowin2 (Non-Linear Model) : 0.5946 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7841 (months ) Biowin4 (Primary Survey Model) : 2.9895 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0213 Biowin6 (MITI Non-Linear Model): 0.0172 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.9143 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): 2.85E-007 Pa (2.14E-009 mm Hg) Log Koa (Koawin est ): 16.582 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 10.5 Octanol/air (Koa) model: 9.38E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.997 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 119.5895 E-12 cm3/molecule-sec Half-Life = 0.089 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.073 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.998 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.632E+006 Log Koc: 6.213 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 = 3.524 (BCF = 3344) log Kow used: 5.49 (estimated) Volatilization from Water: Henry LC: 1.98E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.844E+009 hours (2.435E+008 days) Half-Life from Model Lake : 6.375E+010 hours (2.656E+009 days) Removal In Wastewater Treatment: Total removal: 88.15 percent Total biodegradation: 0.74 percent Total sludge adsorption: 87.41 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 0.000398 2.15 1000 Water 4.11 1.44e+003 1000 Soil 61.4 2.88e+003 1000 Sediment 34.5 1.3e+004 0 Persistence Time: 4.25e+003 hr
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