Try beta.chemspider
1,1'-{[1-(1-Naphthyl)-2-oxo-1,2-ethanediyl]bis(oxy)}bis(2,2,6,6-tetramethylpiperidine)
CC1(CCCC(N1OC(c2cccc3c2cccc3)C(=O)ON4C(CCCC4(C)C)(C)C)(C)C)C
InChI=1S/C30H44N2O3/c1-27(2)18-12-19-28(3,4)31(27)34-25(24-17-11-15-22-14-9-10-16-23(22)24)26(33)35-32-29(5,6)20-13-21-30(32,7)8/h9-11,14-17,25H,12-13,18-21H2,1-8H3
FPSYCAQLEQAVJW-UHFFFAOYSA-N
CSID:356689, http://www.chemspider.com/Chemical-Structure.356689.html (accessed 01:37, Jul 7, 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) = 6.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 526.94 (Adapted Stein & Brown method) Melting Pt (deg C): 225.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.06E-011 (Modified Grain method) Subcooled liquid VP: 5.68E-009 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): 0.001265 log Kow used: 6.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.066807 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.80E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.030E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.88 (KowWin est) Log Kaw used: -8.133 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.013 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2170 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.2884 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5404 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2780 Biowin6 (MITI Non-Linear Model): 0.0008 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.4924 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): 7.57E-007 Pa (5.68E-009 mm Hg) Log Koa (Koawin est ): 15.013 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.96 Octanol/air (Koa) model: 253 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.993 Mackay model : 0.997 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 193.1701 E-12 cm3/molecule-sec Half-Life = 0.055 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.664 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.669E+007 Log Koc: 7.565 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.900E-002 L/mol-sec Kb Half-Life at pH 8: 163.713 days Kb Half-Life at pH 7: 4.482 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.598 (BCF = 3.967e+004) log Kow used: 6.88 (estimated) Volatilization from Water: Henry LC: 1.8E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.131E+006 hours (2.971E+005 days) Half-Life from Model Lake : 7.78E+007 hours (3.242E+006 days) Removal In Wastewater Treatment: Total removal: 93.78 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.01 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 0.00493 1.33 1000 Water 0.843 4.32e+003 1000 Soil 42.9 8.64e+003 1000 Sediment 56.2 3.89e+004 0 Persistence Time: 1.09e+004 hr
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