Try beta.chemspider
2,2,2',2'-Tetramethyl-2,2',3,3'-tetrahydro-1H,1'H-1,1'-biindene
c1cccc2c1CC(C2C4c3ccccc3CC4(C)C)(C)C
InChI=1S/C22H26/c1-21(2)13-15-9-5-7-11-17(15)19(21)20-18-12-8-6-10-16(18)14-22(20,3)4/h5-12,19-20H,13-14H2,1-4H3
KAJSMSUYAXOSJP-UHFFFAOYSA-N
CSID:8599765, http://www.chemspider.com/Chemical-Structure.8599765.html (accessed 13:16, Jul 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) = 8.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 371.65 (Adapted Stein & Brown method) Melting Pt (deg C): 131.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.41E-006 (Modified Grain method) Subcooled liquid VP: 4.02E-005 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): 0.001424 log Kow used: 8.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00050941 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.26E-004 atm-m3/mole Group Method: 3.70E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.152E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.19 (KowWin est) Log Kaw used: -1.471 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.661 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4601 Biowin2 (Non-Linear Model) : 0.0950 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8337 (months ) Biowin4 (Primary Survey Model) : 2.8477 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0802 Biowin6 (MITI Non-Linear Model): 0.0230 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3204 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.0764 BioHC Half-Life (days) : 119.2460 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00536 Pa (4.02E-005 mm Hg) Log Koa (Koawin est ): 9.661 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00056 Octanol/air (Koa) model: 0.00112 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0198 Mackay model : 0.0429 Octanol/air (Koa) model: 0.0825 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.5573 E-12 cm3/molecule-sec Half-Life = 0.609 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.310 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0313 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.424E+006 Log Koc: 6.154 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 = 3.185 (BCF = 1530) log Kow used: 8.19 (estimated) Volatilization from Water: Henry LC: 3.7E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 28.71 hours (1.196 days) Half-Life from Model Lake : 456.1 hours (19 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 0.121 14.6 1000 Water 1.4 1.44e+003 1000 Soil 29.7 2.88e+003 1000 Sediment 68.8 1.3e+004 0 Persistence Time: 4.71e+003 hr
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