Try beta.chemspider
Diethyl 5,5'-(1,2-diphenyl-1,2-ethenediyl)bis(2-methyl-3-furoate)
CCOC(=O)c1cc(oc1C)C(=C(c2ccccc2)c3cc(c(o3)C)C(=O)OCC)c4ccccc4
InChI=1S/C30H28O6/c1-5-33-29(31)23-17-25(35-19(23)3)27(21-13-9-7-10-14-21)28(22-15-11-8-12-16-22)26-18-24(20(4)36-26)30(32)34-6-2/h7-18H,5-6H2,1-4H3
KGERDBCKUQWGRR-UHFFFAOYSA-N
CSID:2983184, http://www.chemspider.com/Chemical-Structure.2983184.html (accessed 08:32, May 3, 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) = 6.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 547.49 (Adapted Stein & Brown method) Melting Pt (deg C): 222.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.28E-011 (Modified Grain method) Subcooled liquid VP: 1.69E-009 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): 0.001076 log Kow used: 6.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0060471 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.20E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.584E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.93 (KowWin est) Log Kaw used: -9.046 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.976 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2307 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3031 (weeks-months) Biowin4 (Primary Survey Model) : 3.4793 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2393 Biowin6 (MITI Non-Linear Model): 0.0262 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3797 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): 2.25E-007 Pa (1.69E-009 mm Hg) Log Koa (Koawin est ): 15.976 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 13.3 Octanol/air (Koa) model: 2.32E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 138.3599 E-12 cm3/molecule-sec Half-Life = 0.077 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.928 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 3628.799805 E-17 cm3/molecule-sec Half-Life = 0.000 Days (at 7E11 mol/cm3) Half-Life = 0.455 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.998 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.897E+007 Log Koc: 7.278 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.898E-001 L/mol-sec Kb Half-Life at pH 8: 20.580 days Kb Half-Life at pH 7: 205.803 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.639 (BCF = 4.36e+004) log Kow used: 6.93 (estimated) Volatilization from Water: Henry LC: 2.2E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.858E+007 hours (2.441E+006 days) Half-Life from Model Lake : 6.391E+008 hours (2.663E+007 days) Removal In Wastewater Treatment: Total removal: 93.81 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.03 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 0.000121 0.00755 1000 Water 2.2 900 1000 Soil 29 1.8e+003 1000 Sediment 68.8 8.1e+003 0 Persistence Time: 2.99e+003 hr
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