Try beta.chemspider
Dimethyl 4,7-dimethyl-5,6-diphenyltetracyclo[8.2.2.0~2,9~.0~3,8~]tetradeca-3,7,13-triene-11,12-dicarboxylate
CC1=C2C3C4C=CC(C3C2=C(C(C1c5ccccc5)c6ccccc6)C)C(C4C(=O)OC)C(=O)OC
InChI=1S/C32H32O4/c1-17-23(19-11-7-5-8-12-19)24(20-13-9-6-10-14-20)18(2)26-25(17)27-21-15-16-22(28(26)27)30(32(34)36-4)29(21)31(33)35-3/h5-16,21-24,27-30H,1-4H3
ZWUYJPKIGUDCJA-UHFFFAOYSA-N
CSID:3509330, http://www.chemspider.com/Chemical-Structure.3509330.html (accessed 00:19, Jul 6, 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) = 7.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 535.46 (Adapted Stein & Brown method) Melting Pt (deg C): 216.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.15E-011 (Modified Grain method) Subcooled liquid VP: 3.44E-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): 0.0001813 log Kow used: 7.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.7719e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.76E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.099E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.87 (KowWin est) Log Kaw used: -6.499 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.369 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2326 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3118 (weeks-months) Biowin4 (Primary Survey Model) : 3.4850 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1212 Biowin6 (MITI Non-Linear Model): 0.0046 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2705 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): 4.59E-007 Pa (3.44E-009 mm Hg) Log Koa (Koawin est ): 14.369 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.54 Octanol/air (Koa) model: 57.4 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.996 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 423.7448 E-12 cm3/molecule-sec Half-Life = 0.025 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.174 Min Ozone Reaction: OVERALL Ozone Rate Constant = 112800.242188 E-17 cm3/molecule-sec Half-Life = 0.000 Days (at 7E11 mol/cm3) Half-Life = 0.015 Min Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.955E+006 Log Koc: 6.998 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.293E-006 L/mol-sec Kb Half-Life at pH 8: 3490.294 years Kb Half-Life at pH 7: 3.490E+004 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.619 (BCF = 4156) log Kow used: 7.87 (estimated) Volatilization from Water: Henry LC: 7.76E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.654E+005 hours (6892 days) Half-Life from Model Lake : 1.805E+006 hours (7.519E+004 days) Removal In Wastewater Treatment: Total removal: 94.01 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 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 3.8e-006 0.000244 1000 Water 1.94 900 1000 Soil 28.1 1.8e+003 1000 Sediment 70 8.1e+003 0 Persistence Time: 3.08e+003 hr
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