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3-Cyclohexyl-N-(1-methoxy-2-propanyl)propanamide
CC(COC)NC(=O)CCC1CCCCC1
InChI=1S/C13H25NO2/c1-11(10-16-2)14-13(15)9-8-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,14,15)
TYPMICUIGHZVGN-UHFFFAOYSA-N
CSID:2659608, http://www.chemspider.com/Chemical-Structure.2659608.html (accessed 04:20, May 8, 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) = 2.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 359.65 (Adapted Stein & Brown method) Melting Pt (deg C): 120.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.86E-006 (Modified Grain method) Subcooled liquid VP: 7.78E-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): 155.9 log Kow used: 2.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6438.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.62E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.700E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.70 (KowWin est) Log Kaw used: -7.179 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.879 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5021 Biowin2 (Non-Linear Model) : 0.2773 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6339 (weeks-months) Biowin4 (Primary Survey Model) : 3.7154 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3734 Biowin6 (MITI Non-Linear Model): 0.2733 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7967 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): 0.0104 Pa (7.78E-005 mm Hg) Log Koa (Koawin est ): 9.879 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000289 Octanol/air (Koa) model: 0.00186 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0103 Mackay model : 0.0226 Octanol/air (Koa) model: 0.129 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.3610 E-12 cm3/molecule-sec Half-Life = 0.186 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.238 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0165 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 337.6 Log Koc: 2.528 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 = 1.378 (BCF = 23.88) log Kow used: 2.70 (estimated) Volatilization from Water: Henry LC: 1.62E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.449E+005 hours (2.271E+004 days) Half-Life from Model Lake : 5.945E+006 hours (2.477E+005 days) Removal In Wastewater Treatment: Total removal: 3.81 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.70 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 0.0123 4.48 1000 Water 14.8 900 1000 Soil 85 1.8e+003 1000 Sediment 0.178 8.1e+003 0 Persistence Time: 1.64e+003 hr
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