3-(1-Piperidinyl)propanoic acid
C1CCN(CC1)CCC(=O)O
InChI=1S/C8H15NO2/c10-8(11)4-7-9-5-2-1-3-6-9/h1-7H2,(H,10,11)
LPDGWMLCUHULJF-UHFFFAOYSA-N
CSID:105258, http://www.chemspider.com/Chemical-Structure.105258.html (accessed 09:05, Mar 29, 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) = -2.06 Log Kow (Exper. database match) = -2.45 Exper. Ref: Tsai,RS et al. (1991) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 436.62 (Adapted Stein & Brown method) Melting Pt (deg C): 297.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.6E-010 (Modified Grain method) Subcooled liquid VP: 1.05E-006 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): 7.418e+004 log Kow used: -2.45 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.2878e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.72E-010 atm-m3/mole Group Method: 3.54E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.677E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.45 (exp database) Log Kaw used: -7.818 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.368 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5401 Biowin2 (Non-Linear Model) : 0.3093 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9616 (weeks ) Biowin4 (Primary Survey Model) : 3.7185 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5382 Biowin6 (MITI Non-Linear Model): 0.5802 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6001 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): 0.00014 Pa (1.05E-006 mm Hg) Log Koa (Koawin est ): 5.368 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0214 Octanol/air (Koa) model: 5.73E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.436 Mackay model : 0.632 Octanol/air (Koa) model: 4.58E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 103.6728 E-12 cm3/molecule-sec Half-Life = 0.103 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.238 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.534 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 20.48 Log Koc: 1.311 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 = 0.500 (BCF = 3.162) log Kow used: -2.45 (expkow database) Volatilization from Water: Henry LC: 3.54E-011 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.074E+007 hours (8.641E+005 days) Half-Life from Model Lake : 2.262E+008 hours (9.426E+006 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00239 2.48 1000 Water 39.1 360 1000 Soil 60.9 720 1000 Sediment 0.0714 3.24e+003 0 Persistence Time: 576 hr
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