Try beta.chemspider
1-(2-Chloroethyl)piperidine
C1CCN(CC1)CCCl
InChI=1S/C7H14ClN/c8-4-7-9-5-2-1-3-6-9/h1-7H2
WNRWEBKEQARBKV-UHFFFAOYSA-N
CSID:67393, http://www.chemspider.com/Chemical-Structure.67393.html (accessed 18:38, Jul 7, 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) = 2.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 197.42 (Adapted Stein & Brown method) Melting Pt (deg C): 5.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00216 (Modified Grain method) MP (exp database): 233-236 deg C Subcooled liquid VP: 0.375 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): 1.166e+004 log Kow used: 2.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 23300 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.76E-005 atm-m3/mole Group Method: 7.73E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.599E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.14 (KowWin est) Log Kaw used: -3.143 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.283 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3606 Biowin2 (Non-Linear Model) : 0.0406 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4449 (weeks-months) Biowin4 (Primary Survey Model) : 3.2461 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3866 Biowin6 (MITI Non-Linear Model): 0.2361 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8015 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): 50 Pa (0.375 mm Hg) Log Koa (Koawin est ): 5.283 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6E-008 Octanol/air (Koa) model: 4.71E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.17E-006 Mackay model : 4.8E-006 Octanol/air (Koa) model: 3.77E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.1708 E-12 cm3/molecule-sec Half-Life = 0.367 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.400 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.48E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 405 Log Koc: 2.607 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 = 0.951 (BCF = 8.94) log Kow used: 2.14 (estimated) Volatilization from Water: Henry LC: 7.73E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 921.6 hours (38.4 days) Half-Life from Model Lake : 1.016E+004 hours (423.1 days) Removal In Wastewater Treatment: Total removal: 2.44 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.30 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.446 8.8 1000 Water 28.1 900 1000 Soil 71.3 1.8e+003 1000 Sediment 0.13 8.1e+003 0 Persistence Time: 856 hr
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