Try beta.chemspider
1-Ethyl-2,2,6,6-tetramethylpiperidine
CCN1C(CCCC1(C)C)(C)C
InChI=1S/C11H23N/c1-6-12-10(2,3)8-7-9-11(12,4)5/h6-9H2,1-5H3
DIRYDVOOUHTURX-UHFFFAOYSA-N
CSID:109276, http://www.chemspider.com/Chemical-Structure.109276.html (accessed 17:34, May 9, 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) = 3.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 191.10 (Adapted Stein & Brown method) Melting Pt (deg C): 19.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.561 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1208 log Kow used: 3.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1417.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.55E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.035E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.18 (KowWin est) Log Kaw used: -2.198 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.378 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0938 Biowin2 (Non-Linear Model) : 0.0063 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1460 (months ) Biowin4 (Primary Survey Model) : 3.0086 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3695 Biowin6 (MITI Non-Linear Model): 0.2373 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6391 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): 68.1 Pa (0.511 mm Hg) Log Koa (Koawin est ): 5.378 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.4E-008 Octanol/air (Koa) model: 5.86E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.59E-006 Mackay model : 3.52E-006 Octanol/air (Koa) model: 4.69E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 79.7617 E-12 cm3/molecule-sec Half-Life = 0.134 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.609 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.56E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1325 Log Koc: 3.122 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 = 1.751 (BCF = 56.33) log Kow used: 3.18 (estimated) Volatilization from Water: Henry LC: 0.000155 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.243 hours Half-Life from Model Lake : 177.2 hours (7.384 days) Removal In Wastewater Treatment: Total removal: 13.95 percent Total biodegradation: 0.13 percent Total sludge adsorption: 7.13 percent Total to Air: 6.69 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.184 3.22 1000 Water 11.4 1.44e+003 1000 Soil 87.9 2.88e+003 1000 Sediment 0.442 1.3e+004 0 Persistence Time: 1.26e+003 hr
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