1-(3-Chloropropyl)-1-azaspiro[4.5]decane
C1CCC2(CC1)CCCN2CCCCl
InChI=1S/C12H22ClN/c13-9-5-11-14-10-4-8-12(14)6-2-1-3-7-12/h1-11H2
DAOPOMURWVACFO-UHFFFAOYSA-N
CSID:366100, http://www.chemspider.com/Chemical-Structure.366100.html (accessed 01:07, Mar 29, 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) = 3.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 282.10 (Adapted Stein & Brown method) Melting Pt (deg C): 68.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00195 (Modified Grain method) Subcooled liquid VP: 0.00502 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): 163.6 log Kow used: 3.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 266.22 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.20E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.384E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.93 (KowWin est) Log Kaw used: -2.883 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.813 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1442 Biowin2 (Non-Linear Model) : 0.0029 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0822 (months ) Biowin4 (Primary Survey Model) : 2.9944 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3602 Biowin6 (MITI Non-Linear Model): 0.1676 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4698 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): 0.669 Pa (0.00502 mm Hg) Log Koa (Koawin est ): 6.813 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.48E-006 Octanol/air (Koa) model: 1.6E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000162 Mackay model : 0.000358 Octanol/air (Koa) model: 0.000128 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 93.2459 E-12 cm3/molecule-sec Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.376 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00026 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8042 Log Koc: 3.905 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 = 2.323 (BCF = 210.6) log Kow used: 3.93 (estimated) Volatilization from Water: Henry LC: 3.2E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 28.37 hours (1.182 days) Half-Life from Model Lake : 432.7 hours (18.03 days) Removal In Wastewater Treatment: Total removal: 28.04 percent Total biodegradation: 0.29 percent Total sludge adsorption: 26.49 percent Total to Air: 1.25 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0934 2.75 1000 Water 11.9 1.44e+003 1000 Soil 85.1 2.88e+003 1000 Sediment 3 1.3e+004 0 Persistence Time: 1.59e+003 hr
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