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2,2,6,6-Tetramethyl-N-[2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethyl]-4-piperidinamine
CC1=CCC(C1(C)C)CCNC2CC(NC(C2)(C)C)(C)C
InChI=1S/C19H36N2/c1-14-8-9-15(19(14,6)7)10-11-20-16-12-17(2,3)21-18(4,5)13-16/h8,15-16,20-21H,9-13H2,1-7H3
DPHRUKAMMQMTOZ-UHFFFAOYSA-N
CSID:4926461, http://www.chemspider.com/Chemical-Structure.4926461.html (accessed 16:41, May 5, 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) = 5.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 356.16 (Adapted Stein & Brown method) Melting Pt (deg C): 131.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.13E-006 (Modified Grain method) Subcooled liquid VP: 9.42E-005 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): 3.615 log Kow used: 5.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 142.24 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.06E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.656E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.37 (KowWin est) Log Kaw used: -5.540 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.910 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3642 Biowin2 (Non-Linear Model) : 0.0164 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9653 (months ) Biowin4 (Primary Survey Model) : 3.0520 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3033 Biowin6 (MITI Non-Linear Model): 0.0215 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6717 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): 0.0126 Pa (9.42E-005 mm Hg) Log Koa (Koawin est ): 10.910 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000239 Octanol/air (Koa) model: 0.02 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00855 Mackay model : 0.0187 Octanol/air (Koa) model: 0.615 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 259.3043 E-12 cm3/molecule-sec Half-Life = 0.041 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.699 Min Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs Fraction sorbed to airborne particulates (phi): 0.0137 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.541E+005 Log Koc: 5.188 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 = 3.432 (BCF = 2703) log Kow used: 5.37 (estimated) Volatilization from Water: Henry LC: 7.06E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.419E+004 hours (591 days) Half-Life from Model Lake : 1.549E+005 hours (6454 days) Removal In Wastewater Treatment: Total removal: 86.41 percent Total biodegradation: 0.73 percent Total sludge adsorption: 85.67 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 0.0131 0.782 1000 Water 6.22 1.44e+003 1000 Soil 52.4 2.88e+003 1000 Sediment 41.3 1.3e+004 0 Persistence Time: 2.73e+003 hr
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