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N-Cyclohexyl-N-ethyl-3-phenylpropanamide
CCN(C1CCCCC1)C(=O)CCc2ccccc2
InChI=1S/C17H25NO/c1-2-18(16-11-7-4-8-12-16)17(19)14-13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3
XYLOYTBPTCNHGS-UHFFFAOYSA-N
CSID:583317, http://www.chemspider.com/Chemical-Structure.583317.html (accessed 21:11, Apr 29, 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) = 4.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 375.03 (Adapted Stein & Brown method) Melting Pt (deg C): 122.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.59E-006 (Modified Grain method) Subcooled liquid VP: 3.34E-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): 3.164 log Kow used: 4.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11.235 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.39E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.873E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.47 (KowWin est) Log Kaw used: -6.245 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.715 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0170 Biowin2 (Non-Linear Model) : 0.9878 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5189 (weeks-months) Biowin4 (Primary Survey Model) : 3.6153 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2628 Biowin6 (MITI Non-Linear Model): 0.1585 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7008 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): 0.00445 Pa (3.34E-005 mm Hg) Log Koa (Koawin est ): 10.715 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000674 Octanol/air (Koa) model: 0.0127 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0238 Mackay model : 0.0511 Octanol/air (Koa) model: 0.505 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 47.4448 E-12 cm3/molecule-sec Half-Life = 0.225 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.705 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0374 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6542 Log Koc: 3.816 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 = 2.745 (BCF = 556.5) log Kow used: 4.47 (estimated) Volatilization from Water: Henry LC: 1.39E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.784E+004 hours (2827 days) Half-Life from Model Lake : 7.402E+005 hours (3.084E+004 days) Removal In Wastewater Treatment: Total removal: 54.44 percent Total biodegradation: 0.51 percent Total sludge adsorption: 53.93 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 0.0653 5.41 1000 Water 11.8 900 1000 Soil 79.9 1.8e+003 1000 Sediment 8.26 8.1e+003 0 Persistence Time: 1.63e+003 hr
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