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2-(4-Chloro-2-methylphenoxy)-N-pentylpropanamide
CCCCCNC(=O)C(C)Oc1ccc(cc1C)Cl
InChI=1S/C15H22ClNO2/c1-4-5-6-9-17-15(18)12(3)19-14-8-7-13(16)10-11(14)2/h7-8,10,12H,4-6,9H2,1-3H3,(H,17,18)
ZSQMZQCQQBWFBC-UHFFFAOYSA-N
CSID:4287904, http://www.chemspider.com/Chemical-Structure.4287904.html (accessed 04:28, Apr 26, 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) = 4.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 410.92 (Adapted Stein & Brown method) Melting Pt (deg C): 158.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.93E-007 (Modified Grain method) Subcooled liquid VP: 4.51E-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): 1.775 log Kow used: 4.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10.905 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.54E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.060E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.61 (KowWin est) Log Kaw used: -6.984 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.594 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9352 Biowin2 (Non-Linear Model) : 0.9869 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4766 (weeks-months) Biowin4 (Primary Survey Model) : 3.7560 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4098 Biowin6 (MITI Non-Linear Model): 0.2053 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1529 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): 0.000601 Pa (4.51E-006 mm Hg) Log Koa (Koawin est ): 11.594 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00499 Octanol/air (Koa) model: 0.0964 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.153 Mackay model : 0.285 Octanol/air (Koa) model: 0.885 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 31.5909 E-12 cm3/molecule-sec Half-Life = 0.339 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.063 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.219 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7115 Log Koc: 3.852 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 = 2.847 (BCF = 703) log Kow used: 4.61 (estimated) Volatilization from Water: Henry LC: 2.54E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.883E+005 hours (1.618E+004 days) Half-Life from Model Lake : 4.236E+006 hours (1.765E+005 days) Removal In Wastewater Treatment: Total removal: 61.67 percent Total biodegradation: 0.56 percent Total sludge adsorption: 61.10 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 0.0193 8.13 1000 Water 10 900 1000 Soil 80.3 1.8e+003 1000 Sediment 9.65 8.1e+003 0 Persistence Time: 1.94e+003 hr
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