Try beta.chemspider
{4,8-Dimethyl-2-oxo-7-[(3,4,5-trimethoxybenzyl)oxy]-2H-chromen-3-yl}acetic acid
Cc1c2ccc(c(c2oc(=O)c1CC(=O)O)C)OCc3cc(c(c(c3)OC)OC)OC
InChI=1S/C23H24O8/c1-12-15-6-7-17(13(2)21(15)31-23(26)16(12)10-20(24)25)30-11-14-8-18(27-3)22(29-5)19(9-14)28-4/h6-9H,10-11H2,1-5H3,(H,24,25)
YHDYZOXFYCUOQL-UHFFFAOYSA-N
CSID:5050959, http://www.chemspider.com/Chemical-Structure.5050959.html (accessed 14:55, 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) = 3.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 592.15 (Adapted Stein & Brown method) Melting Pt (deg C): 255.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.6E-013 (Modified Grain method) Subcooled liquid VP: 1.18E-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): 3.44 log Kow used: 3.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.22743 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.38E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.900E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.71 (KowWin est) Log Kaw used: -14.249 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.959 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.3728 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4499 (weeks-months) Biowin4 (Primary Survey Model) : 4.0841 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8130 Biowin6 (MITI Non-Linear Model): 0.5496 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8536 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): 1.57E-008 Pa (1.18E-010 mm Hg) Log Koa (Koawin est ): 17.959 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 191 Octanol/air (Koa) model: 2.23E+005 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 = 248.1787 E-12 cm3/molecule-sec Half-Life = 0.043 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.517 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 : 1.398E+004 Log Koc: 4.146 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: 3.71 (estimated) Volatilization from Water: Henry LC: 1.38E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.782E+012 hours (3.659E+011 days) Half-Life from Model Lake : 9.58E+013 hours (3.992E+012 days) Removal In Wastewater Treatment: Total removal: 18.76 percent Total biodegradation: 0.23 percent Total sludge adsorption: 18.53 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 1.32e-005 0.239 1000 Water 11.3 900 1000 Soil 87.3 1.8e+003 1000 Sediment 1.35 8.1e+003 0 Persistence Time: 1.86e+003 hr
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