2-(4-Cyclohexyl-2-oxo-3-morpholinyl)-N-phenylacetamide
c1ccc(cc1)NC(=O)CC2C(=O)OCCN2C3CCCCC3
InChI=1S/C18H24N2O3/c21-17(19-14-7-3-1-4-8-14)13-16-18(22)23-12-11-20(16)15-9-5-2-6-10-15/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,19,21)
OFAPJSYLMOTHNC-UHFFFAOYSA-N
CSID:12266056, http://www.chemspider.com/Chemical-Structure.12266056.html (accessed 12:34, 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) = 1.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 514.78 (Adapted Stein & Brown method) Melting Pt (deg C): 219.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.69E-011 (Modified Grain method) Subcooled liquid VP: 1.16E-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): 673.6 log Kow used: 1.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1558.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.55E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.989E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.36 (KowWin est) Log Kaw used: -11.198 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.558 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9041 Biowin2 (Non-Linear Model) : 0.9923 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3532 (weeks-months) Biowin4 (Primary Survey Model) : 3.5425 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4099 Biowin6 (MITI Non-Linear Model): 0.1559 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6290 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): 1.55E-006 Pa (1.16E-008 mm Hg) Log Koa (Koawin est ): 12.558 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.94 Octanol/air (Koa) model: 0.887 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.986 Mackay model : 0.994 Octanol/air (Koa) model: 0.986 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 147.9740 E-12 cm3/molecule-sec Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.867 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.99 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 427.5 Log Koc: 2.631 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 = 0.350 (BCF = 2.238) log Kow used: 1.36 (estimated) Volatilization from Water: Henry LC: 1.55E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.719E+009 hours (2.8E+008 days) Half-Life from Model Lake : 7.33E+010 hours (3.054E+009 days) Removal In Wastewater Treatment: Total removal: 1.94 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.85 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 0.000207 1.73 1000 Water 35.5 900 1000 Soil 64.4 1.8e+003 1000 Sediment 0.0837 8.1e+003 0 Persistence Time: 1.14e+003 hr
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