Try beta.chemspider
Bis(2,2,6,6-tetramethyl-4-piperidinyl) sebacate
CC1(CC(CC(N1)(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(NC(C2)(C)C)(C)C)C
InChI=1S/C28H52N2O4/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22/h21-22,29-30H,9-20H2,1-8H3
XITRBUPOXXBIJN-UHFFFAOYSA-N
CSID:144046, http://www.chemspider.com/Chemical-Structure.144046.html (accessed 14:39, Jun 16, 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) = 6.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 495.85 (Adapted Stein & Brown method) Melting Pt (deg C): 210.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.73E-010 (Modified Grain method) Subcooled liquid VP: 3.5E-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): 0.02721 log Kow used: 6.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.62794 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 : 1.59E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.671E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.50 (KowWin est) Log Kaw used: -10.187 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.687 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4390 Biowin2 (Non-Linear Model) : 0.4178 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6176 (recalcitrant) Biowin4 (Primary Survey Model) : 3.0849 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8089 Biowin6 (MITI Non-Linear Model): 0.2396 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6324 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): 4.67E-006 Pa (3.5E-008 mm Hg) Log Koa (Koawin est ): 16.687 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.643 Octanol/air (Koa) model: 1.19E+004 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 = 151.5731 E-12 cm3/molecule-sec Half-Life = 0.071 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.847 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 : 6.099E+005 Log Koc: 5.785 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.103E-002 L/mol-sec Kb Half-Life at pH 8: 1.991 years Kb Half-Life at pH 7: 19.910 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.805 (BCF = 638.7) log Kow used: 6.50 (estimated) Volatilization from Water: Henry LC: 1.59E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.074E+008 hours (3.364E+007 days) Half-Life from Model Lake : 8.808E+009 hours (3.67E+008 days) Removal In Wastewater Treatment: Total removal: 93.43 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.66 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 5.49e-005 1.69 1000 Water 0.808 4.32e+003 1000 Soil 55.4 8.64e+003 1000 Sediment 43.8 3.89e+004 0 Persistence Time: 1.42e+004 hr
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