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2-(4-Cyclohexylphenoxy)-N-[2-(2-methylphenoxy)ethyl]acetamide
Cc1ccccc1OCCNC(=O)COc2ccc(cc2)C3CCCCC3
InChI=1S/C23H29NO3/c1-18-7-5-6-10-22(18)26-16-15-24-23(25)17-27-21-13-11-20(12-14-21)19-8-3-2-4-9-19/h5-7,10-14,19H,2-4,8-9,15-17H2,1H3,(H,24,25)
GESWIBPAFGSKCW-UHFFFAOYSA-N
CSID:1718807, http://www.chemspider.com/Chemical-Structure.1718807.html (accessed 11:01, May 4, 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) = 6.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 523.79 (Adapted Stein & Brown method) Melting Pt (deg C): 223.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.09E-011 (Modified Grain method) Subcooled liquid VP: 6.83E-009 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): 0.02828 log Kow used: 6.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.13859 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.57E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.703E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.13 (KowWin est) Log Kaw used: -9.408 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.538 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1559 Biowin2 (Non-Linear Model) : 0.9978 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0669 (months ) Biowin4 (Primary Survey Model) : 3.5401 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4803 Biowin6 (MITI Non-Linear Model): 0.3658 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1144 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): 9.11E-007 Pa (6.83E-009 mm Hg) Log Koa (Koawin est ): 15.538 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.29 Octanol/air (Koa) model: 847 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.992 Mackay model : 0.996 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 92.5583 E-12 cm3/molecule-sec Half-Life = 0.116 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.387 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.994 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.699E+005 Log Koc: 5.431 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 = 4.020 (BCF = 1.046e+004) log Kow used: 6.13 (estimated) Volatilization from Water: Henry LC: 9.57E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.173E+008 hours (4.887E+006 days) Half-Life from Model Lake : 1.279E+009 hours (5.331E+007 days) Removal In Wastewater Treatment: Total removal: 92.64 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.86 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 0.00398 2.77 1000 Water 2.18 1.44e+003 1000 Soil 46.9 2.88e+003 1000 Sediment 51 1.3e+004 0 Persistence Time: 5.19e+003 hr
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