1-(3,5-Dimethyl-1-piperidinyl)-3-[(3,3,5-trimethylcyclohexyl)oxy]-2-propanol
CC1CC(CC(C1)(C)C)OCC(CN2CC(CC(C2)C)C)O
InChI=1S/C19H37NO2/c1-14-7-18(9-19(4,5)8-14)22-13-17(21)12-20-10-15(2)6-16(3)11-20/h14-18,21H,6-13H2,1-5H3
SLJQCXKWMCDIOX-UHFFFAOYSA-N
CSID:3614556, http://www.chemspider.com/Chemical-Structure.3614556.html (accessed 02:45, Jun 1, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 375.26 (Adapted Stein & Brown method) Melting Pt (deg C): 128.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.06E-008 (Modified Grain method) Subcooled liquid VP: 9.76E-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): 16.26 log Kow used: 4.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 498.29 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.13E-010 atm-m3/mole Group Method: 1.86E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.284E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.47 (KowWin est) Log Kaw used: -8.060 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.530 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0214 Biowin2 (Non-Linear Model) : 0.0005 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1951 (months ) Biowin4 (Primary Survey Model) : 3.0766 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1491 Biowin6 (MITI Non-Linear Model): 0.0140 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7715 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): 0.00013 Pa (9.76E-007 mm Hg) Log Koa (Koawin est ): 12.530 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0231 Octanol/air (Koa) model: 0.832 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.454 Mackay model : 0.648 Octanol/air (Koa) model: 0.985 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 148.6698 E-12 cm3/molecule-sec Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.863 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.551 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 808.6 Log Koc: 2.908 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 = 2.743 (BCF = 553.3) log Kow used: 4.47 (estimated) Volatilization from Water: Henry LC: 1.86E-011 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 5.556E+007 hours (2.315E+006 days) Half-Life from Model Lake : 6.061E+008 hours (2.525E+007 days) Removal In Wastewater Treatment: Total removal: 54.44 percent Total biodegradation: 0.51 percent Total sludge adsorption: 53.93 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 0.00016 1.73 1000 Water 7.76 1.44e+003 1000 Soil 85.1 2.88e+003 1000 Sediment 7.14 1.3e+004 0 Persistence Time: 3.07e+003 hr
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