Try beta.chemspider
Methyl 2-[(8-methoxy-8'-methyl-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-yl)oxy]propanoate
Cc1c(ccc2c1oc(=O)cc2c3cc4cccc(c4oc3=O)OC)OC(C)C(=O)OC
InChI=1S/C24H20O8/c1-12-18(30-13(2)23(26)29-4)9-8-15-16(11-20(25)31-21(12)15)17-10-14-6-5-7-19(28-3)22(14)32-24(17)27/h5-11,13H,1-4H3
NVACJIKHPZSPRQ-UHFFFAOYSA-N
CSID:4020789, http://www.chemspider.com/Chemical-Structure.4020789.html (accessed 05:20, May 22, 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) = 3.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 604.83 (Adapted Stein & Brown method) Melting Pt (deg C): 261.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.42E-013 (Modified Grain method) Subcooled liquid VP: 5.52E-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): 1.998 log Kow used: 3.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.19112 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.54E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.081E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.46 (KowWin est) Log Kaw used: -11.457 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.917 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.3808 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4643 (weeks-months) Biowin4 (Primary Survey Model) : 3.9907 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8809 Biowin6 (MITI Non-Linear Model): 0.6972 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3071 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): 7.36E-009 Pa (5.52E-011 mm Hg) Log Koa (Koawin est ): 14.917 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 408 Octanol/air (Koa) model: 203 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 = 77.2787 E-12 cm3/molecule-sec Half-Life = 0.138 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.661 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 116.639999 E-17 cm3/molecule-sec Half-Life = 0.010 Days (at 7E11 mol/cm3) Half-Life = 14.148 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 : 7.449E+004 Log Koc: 4.872 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 = 1.967 (BCF = 92.73) log Kow used: 3.46 (estimated) Volatilization from Water: Henry LC: 8.54E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.432E+010 hours (5.968E+008 days) Half-Life from Model Lake : 1.562E+011 hours (6.51E+009 days) Removal In Wastewater Treatment: Total removal: 12.15 percent Total biodegradation: 0.18 percent Total sludge adsorption: 11.98 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 0.00643 0.22 1000 Water 15.9 900 1000 Soil 83.1 1.8e+003 1000 Sediment 1.05 8.1e+003 0 Persistence Time: 1.24e+003 hr
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