Try beta.chemspider
9,9'-(2-Phenyl-1,3-propanediylidene)bis(9H-fluorene)
c1ccc(cc1)C(C=C2c3ccccc3-c4c2cccc4)C=C5c6ccccc6-c7c5cccc7
InChI=1S/C35H24/c1-2-12-24(13-3-1)25(22-34-30-18-8-4-14-26(30)27-15-5-9-19-31(27)34)23-35-32-20-10-6-16-28(32)29-17-7-11-21-33(29)35/h1-23,25H
UDISHIUYKRYYFT-UHFFFAOYSA-N
CSID:2080522, http://www.chemspider.com/Chemical-Structure.2080522.html (accessed 18:49, 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) = 9.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 611.81 (Adapted Stein & Brown method) Melting Pt (deg C): 264.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.51E-014 (Modified Grain method) Subcooled liquid VP: 3.62E-011 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): 1.32e-006 log Kow used: 9.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.4458e-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 : 5.01E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.771E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.34 (KowWin est) Log Kaw used: -6.689 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.029 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7187 Biowin2 (Non-Linear Model) : 0.2833 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1639 (months ) Biowin4 (Primary Survey Model) : 3.1427 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4353 Biowin6 (MITI Non-Linear Model): 0.0006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1782 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.2333 BioHC Half-Life (days) : 171.1042 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 4.83E-009 Pa (3.62E-011 mm Hg) Log Koa (Koawin est ): 16.029 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 622 Octanol/air (Koa) model: 2.62E+003 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 = 193.1045 E-12 cm3/molecule-sec Half-Life = 0.055 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.665 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 327.599976 E-17 cm3/molecule-sec Half-Life = 0.003 Days (at 7E11 mol/cm3) Half-Life = 5.037 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 : 7.34E+009 Log Koc: 9.866 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 = 1.604 (BCF = 40.15) log Kow used: 9.34 (estimated) Volatilization from Water: Henry LC: 5.01E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.464E+005 hours (1.027E+004 days) Half-Life from Model Lake : 2.688E+006 hours (1.12E+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 0.000808 0.079 1000 Water 1.39 1.44e+003 1000 Soil 29.7 2.88e+003 1000 Sediment 68.9 1.3e+004 0 Persistence Time: 4.68e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight