3-(1-Piperidinyl)-1-propanol
C1CCN(CC1)CCCO
InChI=1S/C8H17NO/c10-8-4-7-9-5-2-1-3-6-9/h10H,1-8H2
PLRXAFVBCHEMGD-UHFFFAOYSA-N
CSID:59423, http://www.chemspider.com/Chemical-Structure.59423.html (accessed 10:35, 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) = 0.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 236.88 (Adapted Stein & Brown method) Melting Pt (deg C): 38.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00543 (Modified Grain method) Subcooled liquid VP: 0.00711 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): 1.362e+005 log Kow used: 0.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.0767e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.43E-009 atm-m3/mole Group Method: 5.87E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.514E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.92 (KowWin est) Log Kaw used: -7.003 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.923 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6328 Biowin2 (Non-Linear Model) : 0.4675 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7878 (weeks ) Biowin4 (Primary Survey Model) : 3.4825 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6092 Biowin6 (MITI Non-Linear Model): 0.7362 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6281 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): 0.948 Pa (0.00711 mm Hg) Log Koa (Koawin est ): 7.923 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.16E-006 Octanol/air (Koa) model: 2.06E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000114 Mackay model : 0.000253 Octanol/air (Koa) model: 0.00164 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 107.8651 E-12 cm3/molecule-sec Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.190 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000184 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 22.59 Log Koc: 1.354 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: 0.92 (estimated) Volatilization from Water: Henry LC: 5.87E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.194E+006 hours (4.974E+004 days) Half-Life from Model Lake : 1.302E+007 hours (5.426E+005 days) Removal In Wastewater Treatment: Total removal: 1.88 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 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 0.0127 2.38 1000 Water 35.6 360 1000 Soil 64.4 720 1000 Sediment 0.0702 3.24e+003 0 Persistence Time: 589 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight