Try beta.chemspider
1-Ethylpiperidine
CCN1CCCCC1
InChI=1S/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3
HTLZVHNRZJPSMI-UHFFFAOYSA-N
CSID:12466, http://www.chemspider.com/Chemical-Structure.12466.html (accessed 18:33, Apr 23, 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) = 1.89 Log Kow (Exper. database match) = 1.75 Exper. Ref: Sangster (1993) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 140.53 (Adapted Stein & Brown method) Melting Pt (deg C): -26.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.65 (Mean VP of Antoine & Grain methods) BP (exp database): 130.8 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.461e+004 log Kow used: 1.75 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 56877 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.00E-005 atm-m3/mole Group Method: 3.62E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.153E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.75 (exp database) Log Kaw used: -2.689 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.439 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4884 Biowin2 (Non-Linear Model) : 0.3054 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6942 (weeks-months) Biowin4 (Primary Survey Model) : 3.3964 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4390 Biowin6 (MITI Non-Linear Model): 0.5124 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8924 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): 1.19E+003 Pa (8.93 mm Hg) Log Koa (Koawin est ): 4.439 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.52E-009 Octanol/air (Koa) model: 6.75E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.1E-008 Mackay model : 2.02E-007 Octanol/air (Koa) model: 5.4E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 100.4607 E-12 cm3/molecule-sec Half-Life = 0.106 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.278 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.46E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 219.6 Log Koc: 2.342 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 = 0.648 (BCF = 4.441) log Kow used: 1.75 (expkow database) Volatilization from Water: Henry LC: 3.62E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 18.29 hours Half-Life from Model Lake : 288.8 hours (12.03 days) Removal In Wastewater Treatment: Total removal: 3.97 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.95 percent Total to Air: 1.93 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.297 2.56 1000 Water 36.4 900 1000 Soil 63.2 1.8e+003 1000 Sediment 0.109 8.1e+003 0 Persistence Time: 580 hr
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