Try beta.chemspider
1-(3,3,5,5-Tetramethyl-1-propylcyclohexyl)piperidine
N2(C1(CC(C)(C)CC(C)(C)C1)CCC)CCCCC2
InChI=1S/C18H35N/c1-6-10-18(19-11-8-7-9-12-19)14-16(2,3)13-17(4,5)15-18/h6-15H2,1-5H3
OCCHASGUVQNGDV-UHFFFAOYSA-N
CSID:8440333, http://www.chemspider.com/Chemical-Structure.8440333.html (accessed 14:38, May 11, 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) = 6.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 309.97 (Adapted Stein & Brown method) Melting Pt (deg C): 93.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000247 (Modified Grain method) Subcooled liquid VP: 0.00115 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): 0.6796 log Kow used: 6.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.7883 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.98E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.270E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.40 (KowWin est) Log Kaw used: -1.691 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.091 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1359 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7213 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7164 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2990 Biowin6 (MITI Non-Linear Model): 0.1264 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.5475 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): 0.153 Pa (0.00115 mm Hg) Log Koa (Koawin est ): 8.091 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.96E-005 Octanol/air (Koa) model: 3.03E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000706 Mackay model : 0.00156 Octanol/air (Koa) model: 0.00242 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 99.2446 E-12 cm3/molecule-sec Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.293 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00113 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.68E+004 Log Koc: 4.225 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 = 4.226 (BCF = 1.681e+004) log Kow used: 6.40 (estimated) Volatilization from Water: Henry LC: 0.000498 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.578 hours Half-Life from Model Lake : 175.7 hours (7.319 days) Removal In Wastewater Treatment: Total removal: 93.31 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.36 percent Total to Air: 0.17 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.016 2.59 1000 Water 1.03 4.32e+003 1000 Soil 47.2 8.64e+003 1000 Sediment 51.7 3.89e+004 0 Persistence Time: 8.78e+003 hr
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