4-Ethyl-4-methylpiperidine
CCC1(CCNCC1)C
InChI=1S/C8H17N/c1-3-8(2)4-6-9-7-5-8/h9H,3-7H2,1-2H3
FMPQITXSSWLMDT-UHFFFAOYSA-N
CSID:14273337, http://www.chemspider.com/Chemical-Structure.14273337.html (accessed 01:39, Apr 20, 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) = 2.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 175.85 (Adapted Stein & Brown method) Melting Pt (deg C): 16.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.18 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6371 log Kow used: 2.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 25660 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.01E-005 atm-m3/mole Group Method: 1.44E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.101E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.55 (KowWin est) Log Kaw used: -2.785 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.335 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6569 Biowin2 (Non-Linear Model) : 0.6431 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7303 (weeks-months) Biowin4 (Primary Survey Model) : 3.5540 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5637 Biowin6 (MITI Non-Linear Model): 0.5942 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0659 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): 143 Pa (1.07 mm Hg) Log Koa (Koawin est ): 5.335 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.1E-008 Octanol/air (Koa) model: 5.31E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.6E-007 Mackay model : 1.68E-006 Octanol/air (Koa) model: 4.25E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 88.6775 E-12 cm3/molecule-sec Half-Life = 0.121 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.447 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.22E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 440.9 Log Koc: 2.644 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 = 1.264 (BCF = 18.36) log Kow used: 2.55 (estimated) Volatilization from Water: Henry LC: 1.44E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 47.01 hours (1.959 days) Half-Life from Model Lake : 607.4 hours (25.31 days) Removal In Wastewater Treatment: Total removal: 4.01 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.13 percent Total to Air: 0.79 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.17 2.89 1000 Water 22.2 900 1000 Soil 77.5 1.8e+003 1000 Sediment 0.199 8.1e+003 0 Persistence Time: 898 hr
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