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2-Chloro-N-[1-(4-isopropylphenyl)-2-methylpropyl]acetamide
CC(C)c1ccc(cc1)C(C(C)C)NC(=O)CCl
InChI=1S/C15H22ClNO/c1-10(2)12-5-7-13(8-6-12)15(11(3)4)17-14(18)9-16/h5-8,10-11,15H,9H2,1-4H3,(H,17,18)
ZUZCOINWKDETRD-UHFFFAOYSA-N
CSID:10824325, http://www.chemspider.com/Chemical-Structure.10824325.html (accessed 14:37, Jun 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) = 4.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 397.26 (Adapted Stein & Brown method) Melting Pt (deg C): 144.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.96E-007 (Modified Grain method) Subcooled liquid VP: 9.69E-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): 3.457 log Kow used: 4.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.057 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Haloacetamides Benzyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.18E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.075E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.37 (KowWin est) Log Kaw used: -6.886 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.256 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7735 Biowin2 (Non-Linear Model) : 0.6506 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3051 (weeks-months) Biowin4 (Primary Survey Model) : 3.4977 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0569 Biowin6 (MITI Non-Linear Model): 0.0280 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6346 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): 0.00129 Pa (9.69E-006 mm Hg) Log Koa (Koawin est ): 11.256 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00232 Octanol/air (Koa) model: 0.0443 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0774 Mackay model : 0.157 Octanol/air (Koa) model: 0.78 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.1117 E-12 cm3/molecule-sec Half-Life = 0.410 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.915 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.117 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.52E+004 Log Koc: 4.182 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 = 2.668 (BCF = 465.7) log Kow used: 4.37 (estimated) Volatilization from Water: Henry LC: 3.18E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.013E+005 hours (1.255E+004 days) Half-Life from Model Lake : 3.287E+006 hours (1.37E+005 days) Removal In Wastewater Treatment: Total removal: 49.06 percent Total biodegradation: 0.47 percent Total sludge adsorption: 48.59 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 0.0226 9.83 1000 Water 10.7 900 1000 Soil 83.4 1.8e+003 1000 Sediment 5.94 8.1e+003 0 Persistence Time: 1.87e+003 hr
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