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2-Chloro-N-(4-cyclohexylphenyl)acetamide
c1cc(ccc1C2CCCCC2)NC(=O)CCl
InChI=1S/C14H18ClNO/c15-10-14(17)16-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,16,17)
DWFHEAGINSXBON-UHFFFAOYSA-N
CSID:2073736, http://www.chemspider.com/Chemical-Structure.2073736.html (accessed 03:23, May 6, 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) = 4.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 411.80 (Adapted Stein & Brown method) Melting Pt (deg C): 154.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.05E-007 (Modified Grain method) Subcooled liquid VP: 4.29E-006 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): 3.341 log Kow used: 4.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.7186 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Haloacetamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.36E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.033E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.50 (KowWin est) Log Kaw used: -6.749 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.249 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7811 Biowin2 (Non-Linear Model) : 0.7004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3406 (weeks-months) Biowin4 (Primary Survey Model) : 3.5208 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2620 Biowin6 (MITI Non-Linear Model): 0.1052 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7836 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): 0.000572 Pa (4.29E-006 mm Hg) Log Koa (Koawin est ): 11.249 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00524 Octanol/air (Koa) model: 0.0436 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.159 Mackay model : 0.296 Octanol/air (Koa) model: 0.777 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.2082 E-12 cm3/molecule-sec Half-Life = 0.424 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.092 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.227 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2781 Log Koc: 3.444 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 = 2.763 (BCF = 578.9) log Kow used: 4.50 (estimated) Volatilization from Water: Henry LC: 4.36E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.131E+005 hours (8878 days) Half-Life from Model Lake : 2.325E+006 hours (9.686E+004 days) Removal In Wastewater Treatment: Total removal: 56.03 percent Total biodegradation: 0.52 percent Total sludge adsorption: 55.51 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 0.0328 10.2 1000 Water 10.5 900 1000 Soil 81.6 1.8e+003 1000 Sediment 7.86 8.1e+003 0 Persistence Time: 1.87e+003 hr
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