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1,1-Dicyclohexyl-2-(1-piperidinyl)ethanol
C1CCC(CC1)C(CN2CCCCC2)(C3CCCCC3)O
InChI=1S/C19H35NO/c21-19(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-20-14-8-3-9-15-20/h17-18,21H,1-16H2
KFTTUFZANDBSTG-UHFFFAOYSA-N
CSID:118133, http://www.chemspider.com/Chemical-Structure.118133.html (accessed 08:22, Apr 26, 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) = 5.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 377.92 (Adapted Stein & Brown method) Melting Pt (deg C): 128.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.56E-008 (Modified Grain method) Subcooled liquid VP: 8.17E-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): 1.416 log Kow used: 5.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 140.75 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.07E-008 atm-m3/mole Group Method: 5.35E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.062E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.84 (KowWin est) Log Kaw used: -6.359 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.199 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2186 Biowin2 (Non-Linear Model) : 0.0060 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0837 (months ) Biowin4 (Primary Survey Model) : 2.9829 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1920 Biowin6 (MITI Non-Linear Model): 0.0648 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.2683 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): 0.000109 Pa (8.17E-007 mm Hg) Log Koa (Koawin est ): 12.199 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0275 Octanol/air (Koa) model: 0.388 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.499 Mackay model : 0.688 Octanol/air (Koa) model: 0.969 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 161.1914 E-12 cm3/molecule-sec Half-Life = 0.066 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.796 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.593 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.593E+004 Log Koc: 4.202 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 = 3.794 (BCF = 6220) log Kow used: 5.84 (estimated) Volatilization from Water: Henry LC: 5.35E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.875E+006 hours (7.812E+004 days) Half-Life from Model Lake : 2.045E+007 hours (8.522E+005 days) Removal In Wastewater Treatment: Total removal: 91.33 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.57 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 0.00272 1.59 1000 Water 2.93 1.44e+003 1000 Soil 51.5 2.88e+003 1000 Sediment 45.6 1.3e+004 0 Persistence Time: 4.7e+003 hr
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