Try beta.chemspider
4-Allyl-1,2,5-trimethyl-N-(2-phenylethyl)-4-piperidinamine
CC1CC(C(CN1C)C)(CC=C)NCCc2ccccc2
InChI=1S/C19H30N2/c1-5-12-19(14-17(3)21(4)15-16(19)2)20-13-11-18-9-7-6-8-10-18/h5-10,16-17,20H,1,11-15H2,2-4H3
HOFFNRHAINUGIB-UHFFFAOYSA-N
CSID:2402718, http://www.chemspider.com/Chemical-Structure.2402718.html (accessed 03:21, Jun 1, 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) = 4.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 364.05 (Adapted Stein & Brown method) Melting Pt (deg C): 124.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.17E-006 (Modified Grain method) Subcooled liquid VP: 6.11E-005 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): 24.6 log Kow used: 4.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 74.58 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.80E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.454E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.43 (KowWin est) Log Kaw used: -6.941 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.371 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5586 Biowin2 (Non-Linear Model) : 0.1796 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0708 (months ) Biowin4 (Primary Survey Model) : 2.9726 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0443 Biowin6 (MITI Non-Linear Model): 0.0084 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3449 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): 0.00815 Pa (6.11E-005 mm Hg) Log Koa (Koawin est ): 11.371 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000368 Octanol/air (Koa) model: 0.0577 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0131 Mackay model : 0.0286 Octanol/air (Koa) model: 0.822 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 211.9499 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.606 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.0209 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.278E+005 Log Koc: 5.358 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 = 2.712 (BCF = 515.7) log Kow used: 4.43 (estimated) Volatilization from Water: Henry LC: 2.8E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.539E+005 hours (1.475E+004 days) Half-Life from Model Lake : 3.861E+006 hours (1.609E+005 days) Removal In Wastewater Treatment: Total removal: 52.30 percent Total biodegradation: 0.49 percent Total sludge adsorption: 51.80 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 0.00892 1.15 1000 Water 9.1 1.44e+003 1000 Soil 83.3 2.88e+003 1000 Sediment 7.63 1.3e+004 0 Persistence Time: 2.53e+003 hr
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