Try beta.chemspider
Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) butylmalonate
CCCCC(C(=O)OC1CC(N(C(C1)(C)C)C)(C)C)C(=O)OC2CC(N(C(C2)(C)C)C)(C)C
InChI=1S/C27H50N2O4/c1-12-13-14-21(22(30)32-19-15-24(2,3)28(10)25(4,5)16-19)23(31)33-20-17-26(6,7)29(11)27(8,9)18-20/h19-21H,12-18H2,1-11H3
HCMAXDHDMGVMBS-UHFFFAOYSA-N
CSID:11498069, http://www.chemspider.com/Chemical-Structure.11498069.html (accessed 22:39, Jul 1, 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) = 5.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 443.74 (Adapted Stein & Brown method) Melting Pt (deg C): 176.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.9E-008 (Modified Grain method) Subcooled liquid VP: 7.03E-007 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): 0.305 log Kow used: 5.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.3157 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 : 3.27E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.825E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.38 (KowWin est) Log Kaw used: -9.874 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.254 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1641 Biowin2 (Non-Linear Model) : 0.0070 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3885 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7116 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3178 Biowin6 (MITI Non-Linear Model): 0.0171 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -3.9889 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): 9.37E-005 Pa (7.03E-007 mm Hg) Log Koa (Koawin est ): 15.254 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.032 Octanol/air (Koa) model: 441 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.536 Mackay model : 0.719 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 155.2836 E-12 cm3/molecule-sec Half-Life = 0.069 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.827 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.628 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.574E+005 Log Koc: 5.197 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.710E-004 L/mol-sec Kb Half-Life at pH 8: 38.465 years Kb Half-Life at pH 7: 384.647 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.440 (BCF = 2751) log Kow used: 5.38 (estimated) Volatilization from Water: Henry LC: 3.27E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.868E+008 hours (1.612E+007 days) Half-Life from Model Lake : 4.22E+009 hours (1.758E+008 days) Removal In Wastewater Treatment: Total removal: 86.57 percent Total biodegradation: 0.74 percent Total sludge adsorption: 85.83 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 1.05e-005 1.65 1000 Water 2.2 4.32e+003 1000 Soil 73.9 8.64e+003 1000 Sediment 23.9 3.89e+004 0 Persistence Time: 1.07e+004 hr
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