Try beta.chemspider
N-Ethyl-1-phenyl-2-propanamine
CCNC(C)Cc1ccccc1
InChI=1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
YAGBSNMZQKEFCO-UHFFFAOYSA-N
CSID:9588, http://www.chemspider.com/Chemical-Structure.9588.html (accessed 15:10, Apr 26, 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) = 2.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 234.51 (Adapted Stein & Brown method) Melting Pt (deg C): 13.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0618 (Mean VP of Antoine & Grain methods) BP (exp database): 105 @ 14 mm Hg deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3250 log Kow used: 2.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1359.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.14E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.085E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.71 (KowWin est) Log Kaw used: -3.892 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.602 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0064 Biowin2 (Non-Linear Model) : 0.9849 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8100 (weeks ) Biowin4 (Primary Survey Model) : 3.5918 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2447 Biowin6 (MITI Non-Linear Model): 0.1642 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3336 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): 7.83 Pa (0.0587 mm Hg) Log Koa (Koawin est ): 6.602 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.83E-007 Octanol/air (Koa) model: 9.82E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.38E-005 Mackay model : 3.07E-005 Octanol/air (Koa) model: 7.85E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 100.2063 E-12 cm3/molecule-sec Half-Life = 0.107 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.281 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.23E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2970 Log Koc: 3.473 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 = 1.389 (BCF = 24.47) log Kow used: 2.71 (estimated) Volatilization from Water: Henry LC: 3.14E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 239.5 hours (9.981 days) Half-Life from Model Lake : 2720 hours (113.3 days) Removal In Wastewater Treatment: Total removal: 4.03 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.74 percent Total to Air: 0.17 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.27 2.56 1000 Water 26.4 360 1000 Soil 73.1 720 1000 Sediment 0.261 3.24e+003 0 Persistence Time: 448 hr
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