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N-(2,2-Diphenylethyl)-1-propyl-4-piperidinamine
CCCN1CCC(CC1)NCC(c2ccccc2)c3ccccc3
InChI=1S/C22H30N2/c1-2-15-24-16-13-21(14-17-24)23-18-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-23H,2,13-18H2,1H3
RHELSOOBFHKAIG-UHFFFAOYSA-N
CSID:2122874, http://www.chemspider.com/Chemical-Structure.2122874.html (accessed 18:19, Apr 23, 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) = 4.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 420.11 (Adapted Stein & Brown method) Melting Pt (deg C): 157.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.19E-007 (Modified Grain method) Subcooled liquid VP: 2.68E-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): 10.44 log Kow used: 4.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12.779 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.30E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.837E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.62 (KowWin est) Log Kaw used: -8.275 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.895 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8534 Biowin2 (Non-Linear Model) : 0.8163 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2253 (months ) Biowin4 (Primary Survey Model) : 3.0790 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0136 Biowin6 (MITI Non-Linear Model): 0.0131 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1030 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): 0.000357 Pa (2.68E-006 mm Hg) Log Koa (Koawin est ): 12.895 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0084 Octanol/air (Koa) model: 1.93 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.233 Mackay model : 0.402 Octanol/air (Koa) model: 0.994 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 214.8121 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.598 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.317 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.046E+006 Log Koc: 6.311 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 = 2.858 (BCF = 720.8) log Kow used: 4.62 (estimated) Volatilization from Water: Henry LC: 1.3E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.088E+006 hours (3.37E+005 days) Half-Life from Model Lake : 8.823E+007 hours (3.676E+006 days) Removal In Wastewater Treatment: Total removal: 62.16 percent Total biodegradation: 0.57 percent Total sludge adsorption: 61.60 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 0.000749 1.19 1000 Water 7.49 1.44e+003 1000 Soil 82.8 2.88e+003 1000 Sediment 9.75 1.3e+004 0 Persistence Time: 3.11e+003 hr
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