Try beta.chemspider
2-[(2,4-Dichlorophenyl)amino]-2-oxoethyl (2,3-dihydro-1H-inden-5-yloxy)acetate
c1cc2c(cc1OCC(=O)OCC(=O)Nc3ccc(cc3Cl)Cl)CCC2
InChI=1S/C19H17Cl2NO4/c20-14-5-7-17(16(21)9-14)22-18(23)10-26-19(24)11-25-15-6-4-12-2-1-3-13(12)8-15/h4-9H,1-3,10-11H2,(H,22,23)
IVHBSOBHNSMZSN-UHFFFAOYSA-N
CSID:3989493, http://www.chemspider.com/Chemical-Structure.3989493.html (accessed 06:14, May 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) = 3.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 524.64 (Adapted Stein & Brown method) Melting Pt (deg C): 224.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.79E-011 (Modified Grain method) Subcooled liquid VP: 6.5E-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): 2.569 log Kow used: 3.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.4198 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.61E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.673E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.64 (KowWin est) Log Kaw used: -8.831 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.471 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2320 Biowin2 (Non-Linear Model) : 0.0363 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9920 (months ) Biowin4 (Primary Survey Model) : 3.3729 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2246 Biowin6 (MITI Non-Linear Model): 0.0170 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4367 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): 8.67E-007 Pa (6.5E-009 mm Hg) Log Koa (Koawin est ): 12.471 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.46 Octanol/air (Koa) model: 0.726 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.992 Mackay model : 0.996 Octanol/air (Koa) model: 0.983 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 264.2528 E-12 cm3/molecule-sec Half-Life = 0.040 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.143 Min Ozone Reaction: OVERALL Ozone Rate Constant = 11.443750 E-17 cm3/molecule-sec Half-Life = 0.100 Days (at 7E11 mol/cm3) Half-Life = 2.403 Hrs 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 : 786.4 Log Koc: 2.896 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.292E+000 L/mol-sec Kb Half-Life at pH 8: 1.516 days Kb Half-Life at pH 7: 15.159 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.106 (BCF = 127.6) log Kow used: 3.64 (estimated) Volatilization from Water: Henry LC: 3.61E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.22E+007 hours (1.342E+006 days) Half-Life from Model Lake : 3.513E+008 hours (1.464E+007 days) Removal In Wastewater Treatment: Total removal: 16.63 percent Total biodegradation: 0.21 percent Total sludge adsorption: 16.42 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 0.0125 0.692 1000 Water 12.2 1.44e+003 1000 Soil 86.3 2.88e+003 1000 Sediment 1.49 1.3e+004 0 Persistence Time: 1.94e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight