Try beta.chemspider
4,4,4',4',6,6'-Hexamethyl-3,3',4,4'-tetrahydro-2,2'-spirobi[chromene]
Cc1ccc2c(c1)C(CC3(O2)CC(c4cc(ccc4O3)C)(C)C)(C)C
InChI=1S/C23H28O2/c1-15-7-9-19-17(11-15)21(3,4)13-23(24-19)14-22(5,6)18-12-16(2)8-10-20(18)25-23/h7-12H,13-14H2,1-6H3
GXBISNWSSRMKIQ-UHFFFAOYSA-N
CSID:202832, http://www.chemspider.com/Chemical-Structure.202832.html (accessed 12:28, May 2, 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) = 9.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 411.03 (Adapted Stein & Brown method) Melting Pt (deg C): 167.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.52E-007 (Modified Grain method) Subcooled liquid VP: 4.48E-006 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): 0.0001261 log Kow used: 9.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.3768e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.18E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.337E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.10 (KowWin est) Log Kaw used: -4.050 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.150 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4087 Biowin2 (Non-Linear Model) : 0.2162 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5533 (recalcitrant) Biowin4 (Primary Survey Model) : 2.9191 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4778 Biowin6 (MITI Non-Linear Model): 0.1885 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6850 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): 0.000597 Pa (4.48E-006 mm Hg) Log Koa (Koawin est ): 13.150 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00502 Octanol/air (Koa) model: 3.47 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.154 Mackay model : 0.287 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 72.2313 E-12 cm3/molecule-sec Half-Life = 0.148 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.777 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.22 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.21E+005 Log Koc: 5.506 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 = 1.931 (BCF = 85.35) log Kow used: 9.10 (estimated) Volatilization from Water: Henry LC: 2.18E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 494.5 hours (20.61 days) Half-Life from Model Lake : 5549 hours (231.2 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.0146 3.55 1000 Water 0.746 4.32e+003 1000 Soil 39.7 8.64e+003 1000 Sediment 59.6 3.89e+004 0 Persistence Time: 1.08e+004 hr
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