Try beta.chemspider
Pentacyclo[18.4.0.0~4,9~.0~8,13~.0~16,21~]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene
c1cc2c3cccc(c3c1)CCc4cccc5c4cccc5CC2
InChI=1S/C24H20/c1-5-17-13-14-19-7-3-12-24-20(8-4-11-23(19)24)16-15-18-6-2-10-22(17)21(18)9-1/h1-12H,13-16H2
VFZGBXHOWGORMZ-UHFFFAOYSA-N
CSID:126349, http://www.chemspider.com/Chemical-Structure.126349.html (accessed 16:42, 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) = 8.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 465.25 (Adapted Stein & Brown method) Melting Pt (deg C): 181.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.84E-009 (Modified Grain method) Subcooled liquid VP: 2.05E-007 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): 0.0001084 log Kow used: 8.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00011615 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.26E-006 atm-m3/mole Group Method: 1.41E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.812E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.07 (KowWin est) Log Kaw used: -3.875 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.945 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8194 Biowin2 (Non-Linear Model) : 0.7186 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2182 (months ) Biowin4 (Primary Survey Model) : 3.1286 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3296 Biowin6 (MITI Non-Linear Model): 0.0043 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7962 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 3.2459 BioHC Half-Life (days) : 1761.5840 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.73E-005 Pa (2.05E-007 mm Hg) Log Koa (Koawin est ): 11.945 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.11 Octanol/air (Koa) model: 0.216 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.799 Mackay model : 0.898 Octanol/air (Koa) model: 0.945 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 135.3760 E-12 cm3/molecule-sec Half-Life = 0.079 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.948 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.848 (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 = 3.339 (BCF = 2185) log Kow used: 8.07 (estimated) Volatilization from Water: Henry LC: 1.41E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 7294 hours (303.9 days) Half-Life from Model Lake : 7.972E+004 hours (3322 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 0.0173 1.9 1000 Water 1.39 1.44e+003 1000 Soil 30.8 2.88e+003 1000 Sediment 67.8 1.3e+004 0 Persistence Time: 4.77e+003 hr
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