3-Cyclohexyl-N,N-diethylpropanamide
CCN(CC)C(=O)CCC1CCCCC1
InChI=1S/C13H25NO/c1-3-14(4-2)13(15)11-10-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3
QAXBHPWVNOVJNJ-UHFFFAOYSA-N
CSID:85779, http://www.chemspider.com/Chemical-Structure.85779.html (accessed 08:47, Nov 29, 2023)
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) = 3.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 310.83 (Adapted Stein & Brown method) Melting Pt (deg C): 76.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000357 (Modified Grain method) Subcooled liquid VP: 0.0011 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): 24.03 log Kow used: 3.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 210.19 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.04E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.131E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.75 (KowWin est) Log Kaw used: -4.906 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.656 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8571 Biowin2 (Non-Linear Model) : 0.9370 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6779 (weeks-months) Biowin4 (Primary Survey Model) : 3.7482 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5196 Biowin6 (MITI Non-Linear Model): 0.5300 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3476 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): 0.147 Pa (0.0011 mm Hg) Log Koa (Koawin est ): 8.656 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.05E-005 Octanol/air (Koa) model: 0.000111 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000738 Mackay model : 0.00163 Octanol/air (Koa) model: 0.00882 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 39.0107 E-12 cm3/molecule-sec Half-Life = 0.274 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.290 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00119 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2703 Log Koc: 3.432 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 = 2.187 (BCF = 153.7) log Kow used: 3.75 (estimated) Volatilization from Water: Henry LC: 3.04E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2801 hours (116.7 days) Half-Life from Model Lake : 3.068E+004 hours (1278 days) Removal In Wastewater Treatment: Total removal: 20.09 percent Total biodegradation: 0.24 percent Total sludge adsorption: 19.83 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.239 6.58 1000 Water 16.9 900 1000 Soil 80.6 1.8e+003 1000 Sediment 2.22 8.1e+003 0 Persistence Time: 1.13e+003 hr
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