Try beta.chemspider
9-(2,2-Diphenylethylidene)-9H-fluorene
c1ccc(cc1)C(C=C2c3ccccc3-c4c2cccc4)c5ccccc5
InChI=1S/C27H20/c1-3-11-20(12-4-1)26(21-13-5-2-6-14-21)19-27-24-17-9-7-15-22(24)23-16-8-10-18-25(23)27/h1-19,26H
QUHFQUMBUSYRIN-UHFFFAOYSA-N
CSID:3106366, http://www.chemspider.com/Chemical-Structure.3106366.html (accessed 05:26, Jul 9, 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) = 7.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 485.61 (Adapted Stein & Brown method) Melting Pt (deg C): 191.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.15E-009 (Modified Grain method) Subcooled liquid VP: 6.33E-008 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): 0.0004527 log Kow used: 7.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.5867e-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 : 4.41E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.151E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.10 (KowWin est) Log Kaw used: -4.744 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.844 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8944 Biowin2 (Non-Linear Model) : 0.9083 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4071 (weeks-months) Biowin4 (Primary Survey Model) : 3.2920 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1683 Biowin6 (MITI Non-Linear Model): 0.0069 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6002 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.8530 BioHC Half-Life (days) : 71.2852 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 8.44E-006 Pa (6.33E-008 mm Hg) Log Koa (Koawin est ): 11.844 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.355 Octanol/air (Koa) model: 0.171 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.928 Mackay model : 0.966 Octanol/air (Koa) model: 0.932 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 104.4612 E-12 cm3/molecule-sec Half-Life = 0.102 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.229 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 163.799988 E-17 cm3/molecule-sec Half-Life = 0.007 Days (at 7E11 mol/cm3) Half-Life = 10.075 Min Fraction sorbed to airborne particulates (phi): 0.947 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.712E+007 Log Koc: 7.757 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 = 4.679 (BCF = 4.776e+004) log Kow used: 7.10 (estimated) Volatilization from Water: Henry LC: 4.41E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2466 hours (102.7 days) Half-Life from Model Lake : 2.706E+004 hours (1127 days) Removal In Wastewater Treatment: Total removal: 93.88 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.11 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 0.00248 0.157 1000 Water 2.1 900 1000 Soil 28.8 1.8e+003 1000 Sediment 69.1 8.1e+003 0 Persistence Time: 3.03e+003 hr
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