Try beta.chemspider
Ethyl 2-piperidinecarboxylate
CCOC(=O)C1CCCCN1
InChI=1S/C8H15NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3
SZIKRGHFZTYTIT-UHFFFAOYSA-N
CSID:25608, http://www.chemspider.com/Chemical-Structure.25608.html (accessed 00:40, Apr 25, 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) = 1.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 230.74 (Adapted Stein & Brown method) Melting Pt (deg C): 34.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0583 (Modified Grain method) Subcooled liquid VP: 0.071 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): 7.531e+004 log Kow used: 1.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.799e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.08E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.601E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.15 (KowWin est) Log Kaw used: -4.355 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.505 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0007 Biowin2 (Non-Linear Model) : 0.9974 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0164 (weeks ) Biowin4 (Primary Survey Model) : 3.8932 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7626 Biowin6 (MITI Non-Linear Model): 0.8044 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6910 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 9.47 Pa (0.071 mm Hg) Log Koa (Koawin est ): 5.505 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.17E-007 Octanol/air (Koa) model: 7.85E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.14E-005 Mackay model : 2.54E-005 Octanol/air (Koa) model: 6.28E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 86.4643 E-12 cm3/molecule-sec Half-Life = 0.124 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.484 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.84E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 80.71 Log Koc: 1.907 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.474E-003 L/mol-sec Kb Half-Life at pH 8: 14.897 years Kb Half-Life at pH 7: 148.968 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.183 (BCF = 1.523) log Kow used: 1.15 (estimated) Volatilization from Water: Henry LC: 1.08E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 681 hours (28.37 days) Half-Life from Model Lake : 7534 hours (313.9 days) Removal In Wastewater Treatment: Total removal: 1.96 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.81 percent Total to Air: 0.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.406 2.97 1000 Water 42.7 360 1000 Soil 56.8 720 1000 Sediment 0.0886 3.24e+003 0 Persistence Time: 359 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight