Try beta.chemspider
2,2'-Dimethyl-3,3'-spirobi[benzo[f]chromene]
CC1=Cc2c3ccccc3ccc2OC14C(=Cc5c6ccccc6ccc5O4)C
InChI=1S/C27H20O2/c1-17-15-23-21-9-5-3-7-19(21)11-13-25(23)28-27(17)18(2)16-24-22-10-6-4-8-20(22)12-14-26(24)29-27/h3-16H,1-2H3
UJOFJRKKMOAZDK-UHFFFAOYSA-N
CSID:4483555, http://www.chemspider.com/Chemical-Structure.4483555.html (accessed 20:47, 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) = 9.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 526.44 (Adapted Stein & Brown method) Melting Pt (deg C): 224.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.21E-011 (Modified Grain method) Subcooled liquid VP: 5.85E-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): 3.936e-006 log Kow used: 9.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.3911e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.30E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.298E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.28 (KowWin est) Log Kaw used: -7.027 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.307 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6482 Biowin2 (Non-Linear Model) : 0.6074 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0389 (months ) Biowin4 (Primary Survey Model) : 3.3054 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1621 Biowin6 (MITI Non-Linear Model): 0.0227 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5935 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): 7.8E-007 Pa (5.85E-009 mm Hg) Log Koa (Koawin est ): 16.307 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.85 Octanol/air (Koa) model: 4.98E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.993 Mackay model : 0.997 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 299.5171 E-12 cm3/molecule-sec Half-Life = 0.036 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.712 Min Ozone Reaction: OVERALL Ozone Rate Constant = 27.299999 E-17 cm3/molecule-sec Half-Life = 0.042 Days (at 7E11 mol/cm3) Half-Life = 1.007 Hrs Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.302E+006 Log Koc: 6.863 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 = 1.685 (BCF = 48.41) log Kow used: 9.28 (estimated) Volatilization from Water: Henry LC: 2.3E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.939E+005 hours (2.058E+004 days) Half-Life from Model Lake : 5.388E+006 hours (2.245E+005 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 0.00459 0.463 1000 Water 1.39 1.44e+003 1000 Soil 30 2.88e+003 1000 Sediment 68.6 1.3e+004 0 Persistence Time: 4.71e+003 hr
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