Try beta.chemspider
1-Azaspiro[4.5]decane
C1CCC2(CC1)CCCN2
InChI=1S/C9H17N/c1-2-5-9(6-3-1)7-4-8-10-9/h10H,1-8H2
LGKNCSVHCNCJQG-UHFFFAOYSA-N
CSID:8738, http://www.chemspider.com/Chemical-Structure.8738.html (accessed 06:27, Jun 1, 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) = 2.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 207.31 (Adapted Stein & Brown method) Melting Pt (deg C): 29.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.211 (Modified Grain method) Subcooled liquid VP: 0.23 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): 6559 log Kow used: 2.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 20168 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.35E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.894E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.48 (KowWin est) Log Kaw used: -3.017 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.497 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6512 Biowin2 (Non-Linear Model) : 0.6030 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7038 (weeks-months) Biowin4 (Primary Survey Model) : 3.5367 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5566 Biowin6 (MITI Non-Linear Model): 0.6254 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2810 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): 30.7 Pa (0.23 mm Hg) Log Koa (Koawin est ): 5.497 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.78E-008 Octanol/air (Koa) model: 7.71E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.53E-006 Mackay model : 7.83E-006 Octanol/air (Koa) model: 6.17E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 78.7117 E-12 cm3/molecule-sec Half-Life = 0.136 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.631 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.68E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 972.9 Log Koc: 2.988 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 = 1.209 (BCF = 16.18) log Kow used: 2.48 (estimated) Volatilization from Water: Henry LC: 2.35E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 30.6 hours (1.275 days) Half-Life from Model Lake : 432.8 hours (18.03 days) Removal In Wastewater Treatment: Total removal: 4.28 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.91 percent Total to Air: 1.27 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.212 3.26 1000 Water 22.6 900 1000 Soil 77 1.8e+003 1000 Sediment 0.178 8.1e+003 0 Persistence Time: 856 hr
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