Try beta.chemspider
4,7,7-Trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethyl-4-piperidinyl)bicyclo[2.2.1]heptane-1-carboxamide
CC1(CC(CC(N1)(C)C)NC(=O)C23CCC(C2(C)C)(C(=O)C3=O)C)C
InChI=1S/C20H32N2O3/c1-16(2)10-12(11-17(3,4)22-16)21-15(25)20-9-8-19(7,18(20,5)6)13(23)14(20)24/h12,22H,8-11H2,1-7H3,(H,21,25)
XGIZGPPIDPEERR-UHFFFAOYSA-N
CSID:2194215, http://www.chemspider.com/Chemical-Structure.2194215.html (accessed 17:43, May 23, 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) = 1.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 495.91 (Adapted Stein & Brown method) Melting Pt (deg C): 210.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.71E-010 (Modified Grain method) Subcooled liquid VP: 3.48E-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): 210.2 log Kow used: 1.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1869.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.07E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.093E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.73 (KowWin est) Log Kaw used: -14.683 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.413 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0260 Biowin2 (Non-Linear Model) : 0.0012 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3387 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8265 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2676 Biowin6 (MITI Non-Linear Model): 0.0182 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.2233 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): 4.64E-006 Pa (3.48E-008 mm Hg) Log Koa (Koawin est ): 16.413 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.647 Octanol/air (Koa) model: 6.35E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.959 Mackay model : 0.981 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 90.6287 E-12 cm3/molecule-sec Half-Life = 0.118 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.416 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.97 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 971.1 Log Koc: 2.987 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 = 0.633 (BCF = 4.296) log Kow used: 1.73 (estimated) Volatilization from Water: Henry LC: 5.07E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.156E+013 hours (8.982E+011 days) Half-Life from Model Lake : 2.352E+014 hours (9.799E+012 days) Removal In Wastewater Treatment: Total removal: 2.06 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.97 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 1.04e-008 2.83 1000 Water 31 4.32e+003 1000 Soil 68.9 8.64e+003 1000 Sediment 0.0954 3.89e+004 0 Persistence Time: 2.41e+003 hr
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