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1-Nonylpiperidine
CCCCCCCCCN1CCCCC1
InChI=1S/C14H29N/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h2-14H2,1H3
BUCRDENKHNZGFA-UHFFFAOYSA-N
CSID:363319, http://www.chemspider.com/Chemical-Structure.363319.html (accessed 05:16, May 9, 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) = 5.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 275.53 (Adapted Stein & Brown method) Melting Pt (deg C): 52.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00394 (Modified Grain method) Subcooled liquid VP: 0.00708 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): 10.96 log Kow used: 5.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18.494 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.63E-004 atm-m3/mole Group Method: 4.06E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.999E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.33 (KowWin est) Log Kaw used: -1.829 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.159 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5501 Biowin2 (Non-Linear Model) : 0.4080 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7756 (weeks ) Biowin4 (Primary Survey Model) : 3.5238 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4928 Biowin6 (MITI Non-Linear Model): 0.5551 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0282 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): 0.944 Pa (0.00708 mm Hg) Log Koa (Koawin est ): 7.159 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.18E-006 Octanol/air (Koa) model: 3.54E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000115 Mackay model : 0.000254 Octanol/air (Koa) model: 0.000283 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 112.0856 E-12 cm3/molecule-sec Half-Life = 0.095 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.145 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000184 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.594E+004 Log Koc: 4.203 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 = 2.403 (BCF = 252.8) log Kow used: 5.33 (estimated) Volatilization from Water: Henry LC: 0.000406 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.58 hours Half-Life from Model Lake : 161 hours (6.707 days) Removal In Wastewater Treatment: Total removal: 86.19 percent Total biodegradation: 0.71 percent Total sludge adsorption: 83.92 percent Total to Air: 1.56 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.239 2.29 1000 Water 12.1 360 1000 Soil 60.3 720 1000 Sediment 27.4 3.24e+003 0 Persistence Time: 574 hr
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