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N-Benzyl-N-methyl-5-phenyl-1-pentanamine
CN(CCCCCc1ccccc1)Cc2ccccc2
InChI=1S/C19H25N/c1-20(17-19-14-7-3-8-15-19)16-10-4-9-13-18-11-5-2-6-12-18/h2-3,5-8,11-12,14-15H,4,9-10,13,16-17H2,1H3
IADZHQIILDQUCH-UHFFFAOYSA-N
CSID:13737512, http://www.chemspider.com/Chemical-Structure.13737512.html (accessed 21:30, May 3, 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) = 5.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 363.15 (Adapted Stein & Brown method) Melting Pt (deg C): 107.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1E-005 (Modified Grain method) Subcooled liquid VP: 6.42E-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): 4.538 log Kow used: 5.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.45582 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.39E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.754E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.42 (KowWin est) Log Kaw used: -4.520 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.940 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7258 Biowin2 (Non-Linear Model) : 0.7620 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3226 (weeks-months) Biowin4 (Primary Survey Model) : 3.1152 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0006 Biowin6 (MITI Non-Linear Model): 0.0341 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8614 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): 0.00856 Pa (6.42E-005 mm Hg) Log Koa (Koawin est ): 9.940 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00035 Octanol/air (Koa) model: 0.00214 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0125 Mackay model : 0.0273 Octanol/air (Koa) model: 0.146 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 101.7131 E-12 cm3/molecule-sec Half-Life = 0.105 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.262 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0199 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.053E+005 Log Koc: 5.485 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 = 3.472 (BCF = 2967) log Kow used: 5.42 (estimated) Volatilization from Water: Henry LC: 7.39E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1297 hours (54.05 days) Half-Life from Model Lake : 1.429E+004 hours (595.4 days) Removal In Wastewater Treatment: Total removal: 87.19 percent Total biodegradation: 0.74 percent Total sludge adsorption: 86.44 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 0.0644 2.52 1000 Water 7.91 900 1000 Soil 48.7 1.8e+003 1000 Sediment 43.3 8.1e+003 0 Persistence Time: 1.8e+003 hr
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