Try beta.chemspider
2-(3,5-Dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
Cc1coc2c1cc3c(c(c(=O)oc3c2)CC(=O)NCCc4ccc(cc4)OC)C
InChI=1S/C24H23NO5/c1-14-13-29-21-12-22-19(10-18(14)21)15(2)20(24(27)30-22)11-23(26)25-9-8-16-4-6-17(28-3)7-5-16/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,25,26)
DDYPKQZZYGURJT-UHFFFAOYSA-N
CSID:4148320, http://www.chemspider.com/Chemical-Structure.4148320.html (accessed 23:35, Jun 15, 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) = 4.45 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 620.55 (Adapted Stein & Brown method) Melting Pt (deg C): 268.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.47E-014 (Modified Grain method) Subcooled liquid VP: 2.14E-011 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): 0.4474 log Kow used: 4.45 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.28572 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.88E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.330E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.45 (KowWin est) Log Kaw used: -12.800 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.250 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1801 Biowin2 (Non-Linear Model) : 0.9994 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1813 (months ) Biowin4 (Primary Survey Model) : 3.6372 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3145 Biowin6 (MITI Non-Linear Model): 0.0689 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6507 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): 2.85E-009 Pa (2.14E-011 mm Hg) Log Koa (Koawin est ): 17.250 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.05E+003 Octanol/air (Koa) model: 4.37E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 132.4606 E-12 cm3/molecule-sec Half-Life = 0.081 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.969 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 18.599 Min Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.648E+005 Log Koc: 5.423 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 = 2.728 (BCF = 534.1) log Kow used: 4.45 (estimated) Volatilization from Water: Henry LC: 3.88E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.038E+011 hours (1.266E+010 days) Half-Life from Model Lake : 3.315E+012 hours (1.381E+011 days) Removal In Wastewater Treatment: Total removal: 53.37 percent Total biodegradation: 0.50 percent Total sludge adsorption: 52.87 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 0.00113 0.267 1000 Water 8.46 1.44e+003 1000 Soil 84.1 2.88e+003 1000 Sediment 7.44 1.3e+004 0 Persistence Time: 2.76e+003 hr
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