Try beta.chemspider
5,11,17,23-Tetramethylpentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol
Oc1c(cc5cc1Cc2cc(cc(c2O)C)Cc3cc(c(O)c(c3)Cc4c(O)c(cc(c4)C5)C)C)C
InChI=1S/C32H32O4/c1-17-5-21-9-22-6-18(2)31(35)27(12-22)16-28-14-24(8-20(4)32(28)36)10-23-7-19(3)30(34)26(13-23)15-25(11-21)29(17)33/h5-8,11-14,33-36H,9-10,15-16H2,1-4H3
MWSUKJCFQNMQLT-UHFFFAOYSA-N
CSID:8966203, http://www.chemspider.com/Chemical-Structure.8966203.html (accessed 23:32, Jul 5, 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) = 8.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 689.23 (Adapted Stein & Brown method) Melting Pt (deg C): 300.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.73E-019 (Modified Grain method) Subcooled liquid VP: 2.09E-016 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): 7.892e-006 log Kow used: 8.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.8368e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.96E-020 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.386E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.84 (KowWin est) Log Kaw used: -18.096 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 26.936 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.4076 Biowin2 (Non-Linear Model) : 0.9832 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9422 (months ) Biowin4 (Primary Survey Model) : 2.9231 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4002 Biowin6 (MITI Non-Linear Model): 0.0005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1907 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): 2.79E-014 Pa (2.09E-016 mm Hg) Log Koa (Koawin est ): 26.936 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.08E+008 Octanol/air (Koa) model: 2.12E+014 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 = 338.4492 E-12 cm3/molecule-sec Half-Life = 0.032 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.754 Min Ozone Reaction: OVERALL Ozone Rate Constant = 35.360001 E-17 cm3/molecule-sec Half-Life = 0.032 Days (at 7E11 mol/cm3) Half-Life = 46.670 Min Reaction With Nitrate Radicals May Be Important! 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 : 1.54E+008 Log Koc: 8.188 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 = 2.285 (BCF = 192.9) log Kow used: 8.84 (estimated) Volatilization from Water: Henry LC: 1.96E-020 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.549E+016 hours (2.729E+015 days) Half-Life from Model Lake : 7.144E+017 hours (2.977E+016 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.000375 0.384 1000 Water 1.17 1.44e+003 1000 Soil 40.9 2.88e+003 1000 Sediment 57.9 1.3e+004 0 Persistence Time: 6.05e+003 hr
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