Try beta.chemspider
Tricyclo[17.3.1.1~8,12~]tetracosa-1(23),8(24),9,11,19,21-hexaene
c13cc(ccc1)CCCCCCc2cccc(c2)CCCCCC3
InChI=1S/C24H32/c1-2-6-12-22-16-10-18-24(20-22)14-8-4-3-7-13-23-17-9-15-21(19-23)11-5-1/h9-10,15-20H,1-8,11-14H2
PDCJQMZQIMZCAD-UHFFFAOYSA-N
CSID:9028464, http://www.chemspider.com/Chemical-Structure.9028464.html (accessed 09:31, Jun 5, 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) = 9.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 424.80 (Adapted Stein & Brown method) Melting Pt (deg C): 144.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.26E-007 (Modified Grain method) Subcooled liquid VP: 2.06E-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): 4.142e-006 log Kow used: 9.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00086761 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.30E-003 atm-m3/mole Group Method: 4.66E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.283E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.65 (KowWin est) Log Kaw used: -0.870 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.520 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8136 Biowin2 (Non-Linear Model) : 0.6826 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1915 (months ) Biowin4 (Primary Survey Model) : 3.1112 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2406 Biowin6 (MITI Non-Linear Model): 0.0125 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3746 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 3.0041 BioHC Half-Life (days) : 1009.5195 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000275 Pa (2.06E-006 mm Hg) Log Koa (Koawin est ): 10.520 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0109 Octanol/air (Koa) model: 0.00813 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.283 Mackay model : 0.466 Octanol/air (Koa) model: 0.394 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 39.9782 E-12 cm3/molecule-sec Half-Life = 0.268 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.211 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.375 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.918E+006 Log Koc: 6.950 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 = 1.179 (BCF = 15.11) log Kow used: 9.65 (estimated) Volatilization from Water: Henry LC: 0.000466 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.076 hours Half-Life from Model Lake : 194.6 hours (8.108 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 0.0545 6.42 1000 Water 1.37 1.44e+003 1000 Soil 30.8 2.88e+003 1000 Sediment 67.8 1.3e+004 0 Persistence Time: 4.8e+003 hr
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