Try beta.chemspider
Diethyl 4-[2,6-bis(ethoxycarbonyl)-4H-pyran-4-ylidene]-4H-pyran-2,6-dicarboxylate
CCOC(=O)C1=CC(=C2C=C(OC(=C2)C(=O)OCC)C(=O)OCC)C=C(O1)C(=O)OCC
InChI=1S/C22H24O10/c1-5-27-19(23)15-9-13(10-16(31-15)20(24)28-6-2)14-11-17(21(25)29-7-3)32-18(12-14)22(26)30-8-4/h9-12H,5-8H2,1-4H3
WPJIHKWMBTWYBJ-UHFFFAOYSA-N
CSID:2863743, http://www.chemspider.com/Chemical-Structure.2863743.html (accessed 00:51, May 7, 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) = 3.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 493.72 (Adapted Stein & Brown method) Melting Pt (deg C): 191.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.09E-010 (Modified Grain method) Subcooled liquid VP: 3.96E-008 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): 1.021 log Kow used: 3.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4719.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.70E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.097E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.72 (KowWin est) Log Kaw used: -7.820 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.540 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5361 Biowin2 (Non-Linear Model) : 0.9978 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7517 (weeks ) Biowin4 (Primary Survey Model) : 4.0971 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9800 Biowin6 (MITI Non-Linear Model): 0.7427 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5006 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.28E-006 Pa (3.96E-008 mm Hg) Log Koa (Koawin est ): 11.540 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.568 Octanol/air (Koa) model: 0.0851 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.954 Mackay model : 0.978 Octanol/air (Koa) model: 0.872 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 136.2751 E-12 cm3/molecule-sec Half-Life = 0.078 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.942 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.335000 E-17 cm3/molecule-sec Half-Life = 0.858 Days (at 7E11 mol/cm3) Half-Life = 20.602 Hrs Fraction sorbed to airborne particulates (phi): 0.966 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4282 Log Koc: 3.632 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 7.817E-003 L/mol-sec Kb Half-Life at pH 8: 2.810 years Kb Half-Life at pH 7: 28.095 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.162 (BCF = 145.1) log Kow used: 3.72 (estimated) Volatilization from Water: Henry LC: 3.7E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.351E+006 hours (1.396E+005 days) Half-Life from Model Lake : 3.656E+007 hours (1.523E+006 days) Removal In Wastewater Treatment: Total removal: 19.08 percent Total biodegradation: 0.23 percent Total sludge adsorption: 18.85 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 0.0852 1.73 1000 Water 20.1 360 1000 Soil 78.4 720 1000 Sediment 1.41 3.24e+003 0 Persistence Time: 590 hr
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