Try beta.chemspider
N-Methyl-N-(1-naphthylmethyl)-1-propyl-4-piperidinamine
CCCN1CCC(CC1)N(C)Cc2cccc3c2cccc3
InChI=1S/C20H28N2/c1-3-13-22-14-11-19(12-15-22)21(2)16-18-9-6-8-17-7-4-5-10-20(17)18/h4-10,19H,3,11-16H2,1-2H3
PMBVPHIJMRKFEM-UHFFFAOYSA-N
CSID:1150692, http://www.chemspider.com/Chemical-Structure.1150692.html (accessed 15:31, Jun 14, 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) = 4.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 403.44 (Adapted Stein & Brown method) Melting Pt (deg C): 147.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.88E-007 (Modified Grain method) Subcooled liquid VP: 6.86E-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): 23 log Kow used: 4.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 37.45 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.59E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.580E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.40 (KowWin est) Log Kaw used: -7.975 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.375 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1959 Biowin2 (Non-Linear Model) : 0.0035 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0344 (months ) Biowin4 (Primary Survey Model) : 2.8440 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1467 Biowin6 (MITI Non-Linear Model): 0.0051 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.5367 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): 0.000915 Pa (6.86E-006 mm Hg) Log Koa (Koawin est ): 12.375 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00328 Octanol/air (Koa) model: 0.582 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.106 Mackay model : 0.208 Octanol/air (Koa) model: 0.979 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 259.1138 E-12 cm3/molecule-sec Half-Life = 0.041 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.721 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.157 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.051E+005 Log Koc: 5.608 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 = 2.687 (BCF = 485.9) log Kow used: 4.40 (estimated) Volatilization from Water: Henry LC: 2.59E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.892E+006 hours (1.622E+005 days) Half-Life from Model Lake : 4.246E+007 hours (1.769E+006 days) Removal In Wastewater Treatment: Total removal: 50.68 percent Total biodegradation: 0.48 percent Total sludge adsorption: 50.20 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 0.00126 0.991 1000 Water 8.09 1.44e+003 1000 Soil 85.6 2.88e+003 1000 Sediment 6.33 1.3e+004 0 Persistence Time: 2.95e+003 hr
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