Try beta.chemspider
1-(4-Methylphenyl)-3-[4-(3-phenylpropyl)-1-piperidinyl]-2,5-pyrrolidinedione
Cc1ccc(cc1)N2C(=O)CC(C2=O)N3CCC(CC3)CCCc4ccccc4
InChI=1S/C25H30N2O2/c1-19-10-12-22(13-11-19)27-24(28)18-23(25(27)29)26-16-14-21(15-17-26)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-13,21,23H,5,8-9,14-18H2,1H3
HNWXBSYLTKXPJH-UHFFFAOYSA-N
CSID:4466089, http://www.chemspider.com/Chemical-Structure.4466089.html (accessed 00:37, Apr 29, 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) = 4.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 589.54 (Adapted Stein & Brown method) Melting Pt (deg C): 254.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.36E-013 (Modified Grain method) Subcooled liquid VP: 1.38E-010 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): 0.335 log Kow used: 4.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.20354 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.78E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.688E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.71 (KowWin est) Log Kaw used: -7.944 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.654 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5938 Biowin2 (Non-Linear Model) : 0.1411 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9537 (months ) Biowin4 (Primary Survey Model) : 2.8641 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2524 Biowin6 (MITI Non-Linear Model): 0.0014 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8422 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): 1.84E-008 Pa (1.38E-010 mm Hg) Log Koa (Koawin est ): 12.654 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 163 Octanol/air (Koa) model: 1.11 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.989 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 153.5042 E-12 cm3/molecule-sec Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.836 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.27E+005 Log Koc: 5.356 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 = 2.924 (BCF = 839.9) log Kow used: 4.71 (estimated) Volatilization from Water: Henry LC: 2.78E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.162E+006 hours (1.734E+005 days) Half-Life from Model Lake : 4.54E+007 hours (1.892E+006 days) Removal In Wastewater Treatment: Total removal: 66.44 percent Total biodegradation: 0.60 percent Total sludge adsorption: 65.84 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 0.0364 1.67 1000 Water 10.5 1.44e+003 1000 Soil 72.8 2.88e+003 1000 Sediment 16.7 1.3e+004 0 Persistence Time: 2.01e+003 hr
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