4-(4-Piperidinyl)phenol
C1CNCCC1C2=CC=C(C=C2)O
InChI=1S/C11H15NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-4,10,12-13H,5-8H2
ZDEWVCFSCQUKTE-UHFFFAOYSA-N
CSID:8686912, http://www.chemspider.com/Chemical-Structure.8686912.html (accessed 20:14, Mar 28, 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) = 2.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 311.74 (Adapted Stein & Brown method) Melting Pt (deg C): 99.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.32E-005 (Modified Grain method) Subcooled liquid VP: 0.000332 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): 2.197e+004 log Kow used: 2.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0377e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.44E-010 atm-m3/mole Group Method: 1.07E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.709E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.34 (KowWin est) Log Kaw used: -8.230 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.570 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9875 Biowin2 (Non-Linear Model) : 0.9564 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8134 (weeks ) Biowin4 (Primary Survey Model) : 3.6065 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3844 Biowin6 (MITI Non-Linear Model): 0.3322 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1510 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): 0.0443 Pa (0.000332 mm Hg) Log Koa (Koawin est ): 10.570 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.78E-005 Octanol/air (Koa) model: 0.00912 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00244 Mackay model : 0.00539 Octanol/air (Koa) model: 0.422 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 130.3743 E-12 cm3/molecule-sec Half-Life = 0.082 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.984 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00392 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5714 Log Koc: 3.757 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 = 1.104 (BCF = 12.7) log Kow used: 2.34 (estimated) Volatilization from Water: Henry LC: 1.07E-011 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 7.285E+007 hours (3.035E+006 days) Half-Life from Model Lake : 7.947E+008 hours (3.311E+007 days) Removal In Wastewater Treatment: Total removal: 2.71 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.62 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 0.000197 1.97 1000 Water 19.7 360 1000 Soil 80.2 720 1000 Sediment 0.107 3.24e+003 0 Persistence Time: 741 hr
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