Try beta.chemspider
1,2,3,6-Tetramethoxychromeno[5,4,3-cde][1,3]dioxolo[4,5-h]chromene-5,11-dione
COc1c2c3c4c(c(c(c(c4oc2=O)OC)OC)OC)c(=O)oc3c5c1OCO5
InChI=1S/C19H14O10/c1-22-10-8-6-7-9(19(21)28-12(6)15(25-4)14(10)24-3)11(23-2)16-17(27-5-26-16)13(7)29-18(8)20/h5H2,1-4H3
PMZJAAPNTLEPIL-UHFFFAOYSA-N
CSID:114336, http://www.chemspider.com/Chemical-Structure.114336.html (accessed 12:08, Apr 25, 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) = -2.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 573.83 (Adapted Stein & Brown method) Melting Pt (deg C): 247.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.37E-012 (Modified Grain method) Subcooled liquid VP: 3.53E-010 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): 7.406e+005 log Kow used: -2.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5741 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Esters Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.793E-019 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2580 Biowin2 (Non-Linear Model) : 0.8712 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3902 (weeks-months) Biowin4 (Primary Survey Model) : 3.9274 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8142 Biowin6 (MITI Non-Linear Model): 0.4414 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5038 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): 4.71E-008 Pa (3.53E-010 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 63.7 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 428.0235 E-12 cm3/molecule-sec Half-Life = 0.025 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.992 Min Ozone Reaction: OVERALL Ozone Rate Constant = 52.975002 E-17 cm3/molecule-sec Half-Life = 0.022 Days (at 7E11 mol/cm3) Half-Life = 31.151 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 : 10 Log Koc: 1.000 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 = 0.500 (BCF = 3.162) log Kow used: -2.81 (estimated) Volatilization from Water: Henry LC: 9.79E-019 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.199E+015 hours (4.997E+013 days) Half-Life from Model Lake : 1.308E+016 hours (5.451E+014 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 5.74e-008 0.278 1000 Water 46.5 900 1000 Soil 53.5 1.8e+003 1000 Sediment 0.0892 8.1e+003 0 Persistence Time: 973 hr
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