Try beta.chemspider
1,3,5-Triphenylfluoranthene
c1ccc(cc1)c2cc3c(cc(c-4c3c(c2)-c5c4cccc5)c6ccccc6)c7ccccc7
InChI=1S/C34H22/c1-4-12-23(13-5-1)26-20-31-27-18-10-11-19-28(27)33-30(25-16-8-3-9-17-25)22-29(32(21-26)34(31)33)24-14-6-2-7-15-24/h1-22H
QLSBMQRHQQYIEQ-UHFFFAOYSA-N
CSID:43280, http://www.chemspider.com/Chemical-Structure.43280.html (accessed 00:52, May 10, 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) = 10.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 666.56 (Adapted Stein & Brown method) Melting Pt (deg C): 290.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.47E-015 (Modified Grain method) Subcooled liquid VP: 1.3E-012 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): 2.841e-007 log Kow used: 10.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.3055e-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 : 3.76E-009 atm-m3/mole Group Method: 1.47E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.931E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 10.23 (KowWin est) Log Kaw used: -6.813 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.043 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2695 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5144 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5390 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3880 Biowin6 (MITI Non-Linear Model): 0.0007 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6088 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 3.1161 BioHC Half-Life (days) : 1306.5453 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.73E-010 Pa (1.3E-012 mm Hg) Log Koa (Koawin est ): 17.043 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.73E+004 Octanol/air (Koa) model: 2.71E+004 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 = 49.6461 E-12 cm3/molecule-sec Half-Life = 0.215 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.585 Hrs Ozone Reaction: No Ozone Reaction Estimation 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 : 3.98E+009 Log Koc: 9.600 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 = 0.500 (BCF = 3.162) log Kow used: 10.23 (estimated) Volatilization from Water: Henry LC: 1.47E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.264E+005 hours (3.443E+004 days) Half-Life from Model Lake : 9.016E+006 hours (3.757E+005 days) Removal In Wastewater Treatment: Total removal: 94.04 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 0.0169 5.17 1000 Water 0.714 4.32e+003 1000 Soil 42.2 8.64e+003 1000 Sediment 57.1 3.89e+004 0 Persistence Time: 1.14e+004 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight