Try beta.chemspider
Pentacyclo[10.8.2.2~15,18~.0~2,11~.0~3,8~]tetracosa-1,3,5,7,9,11,15,17,21,23-decaene
c1ccc2c(c1)ccc3c2c4ccc3CCc5ccc(cc5)CC4
InChI=1S/C24H20/c1-2-4-22-19(3-1)15-16-23-20-11-9-17-5-7-18(8-6-17)10-12-21(14-13-20)24(22)23/h1-8,13-16H,9-12H2
LHDBQVBMAZCBBR-UHFFFAOYSA-N
CSID:2033063, http://www.chemspider.com/Chemical-Structure.2033063.html (accessed 15:47, Jul 7, 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) = 7.53 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 431.20 (Adapted Stein & Brown method) Melting Pt (deg C): 165.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.15E-008 (Modified Grain method) Subcooled liquid VP: 1.43E-006 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): 0.0003145 log Kow used: 7.53 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00016826 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.646E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7101 Biowin2 (Non-Linear Model) : 0.4460 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3679 (weeks-months) Biowin4 (Primary Survey Model) : 3.2657 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1869 Biowin6 (MITI Non-Linear Model): 0.0062 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7051 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.0399 BioHC Half-Life (days) : 109.6137 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000191 Pa (1.43E-006 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0157 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.362 Mackay model : 0.557 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 283.7410 E-12 cm3/molecule-sec Half-Life = 0.038 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 27.141 Min Ozone Reaction: OVERALL Ozone Rate Constant = 7.365000 E-17 cm3/molecule-sec Half-Life = 0.156 Days (at 7E11 mol/cm3) Half-Life = 3.734 Hrs Fraction sorbed to airborne particulates (phi): 0.46 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.736E+006 Log Koc: 6.941 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 = 4.081 (BCF = 1.206e+004) log Kow used: 7.53 (estimated) Volatilization from Water: Henry LC: 6.65E-005 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 17.26 hours Half-Life from Model Lake : 335.6 hours (13.98 days) Removal In Wastewater Treatment: Total removal: 93.98 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.20 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 0.0112 0.728 1000 Water 1.97 900 1000 Soil 28.5 1.8e+003 1000 Sediment 69.5 8.1e+003 0 Persistence Time: 3.07e+003 hr
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