Try beta.chemspider
5,5',6,6'-Tetramethoxy-3,3,3',3'-tetramethyl-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]
CC1(CC2(CC(c3c2cc(c(c3)OC)OC)(C)C)c4c1cc(c(c4)OC)OC)C
InChI=1S/C25H32O4/c1-23(2)13-25(17-11-21(28-7)19(26-5)9-15(17)23)14-24(3,4)16-10-20(27-6)22(29-8)12-18(16)25/h9-12H,13-14H2,1-8H3
JJGWRDVWOXPPRJ-UHFFFAOYSA-N
CSID:208600, http://www.chemspider.com/Chemical-Structure.208600.html (accessed 07:27, Apr 29, 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) = 6.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 450.84 (Adapted Stein & Brown method) Melting Pt (deg C): 189.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.83E-009 (Modified Grain method) Subcooled liquid VP: 4.68E-007 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): 0.008952 log Kow used: 6.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0001029 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.62E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.146E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.51 (KowWin est) Log Kaw used: -6.507 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.017 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5346 Biowin2 (Non-Linear Model) : 0.7688 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4540 (recalcitrant) Biowin4 (Primary Survey Model) : 3.1238 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5918 Biowin6 (MITI Non-Linear Model): 0.2100 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7129 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): 6.24E-005 Pa (4.68E-007 mm Hg) Log Koa (Koawin est ): 13.017 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0481 Octanol/air (Koa) model: 2.55 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.635 Mackay model : 0.794 Octanol/air (Koa) model: 0.995 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 104.1226 E-12 cm3/molecule-sec Half-Life = 0.103 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.233 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.714 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.84E+006 Log Koc: 6.584 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 = 4.309 (BCF = 2.038e+004) log Kow used: 6.51 (estimated) Volatilization from Water: Henry LC: 7.62E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.53E+005 hours (6375 days) Half-Life from Model Lake : 1.669E+006 hours (6.955E+004 days) Removal In Wastewater Treatment: Total removal: 93.45 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.67 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 0.00734 2.46 1000 Water 0.956 4.32e+003 1000 Soil 46.9 8.64e+003 1000 Sediment 52.2 3.89e+004 0 Persistence Time: 1.11e+004 hr
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