Try beta.chemspider
9-[9H-Fluoren-9-ylidene(phenyl)methyl]-9H-fluoren-9-yl
c1ccc(cc1)C(=C2c3ccccc3-c4c2cccc4)[C]5c6ccccc6-c7c5cccc7
InChI=1S/C33H21/c1-2-12-22(13-3-1)31(32-27-18-8-4-14-23(27)24-15-5-9-19-28(24)32)33-29-20-10-6-16-25(29)26-17-7-11-21-30(26)33/h1-21H
GKAAGBJMSDXTLM-UHFFFAOYSA-N
CSID:17339337, http://www.chemspider.com/Chemical-Structure.17339337.html (accessed 00:21, Jun 27, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 8.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 587.52 (Adapted Stein & Brown method) Melting Pt (deg C): 253.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.06E-013 (Modified Grain method) Subcooled liquid VP: 1.56E-010 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): 4.951e-006 log Kow used: 8.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.1854e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.88E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.628E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.86 (KowWin est) Log Kaw used: -6.551 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.411 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7310 Biowin2 (Non-Linear Model) : 0.3639 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2214 (months ) Biowin4 (Primary Survey Model) : 3.1802 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3702 Biowin6 (MITI Non-Linear Model): 0.0011 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0311 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.2465 BioHC Half-Life (days) : 176.4151 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.08E-008 Pa (1.56E-010 mm Hg) Log Koa (Koawin est ): 15.411 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 144 Octanol/air (Koa) model: 632 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 = 127.5965 E-12 cm3/molecule-sec Half-Life = 0.084 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.006 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1965.599854 E-17 cm3/molecule-sec Half-Life = 0.001 Days (at 7E11 mol/cm3) Half-Life = 0.840 Min 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 : 2.248E+009 Log Koc: 9.352 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 = 2.262 (BCF = 183) log Kow used: 8.86 (estimated) Volatilization from Water: Henry LC: 6.88E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.741E+005 hours (7254 days) Half-Life from Model Lake : 1.899E+006 hours (7.914E+004 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 0.000143 0.0139 1000 Water 1.4 1.44e+003 1000 Soil 29.6 2.88e+003 1000 Sediment 69 1.3e+004 0 Persistence Time: 4.67e+003 hr
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