Try beta.chemspider
Tricyclo[4.2.2.0~1,6~]deca-2,4,7,9-tetraene
C1=CC23C=CC2(C=C1)C=C3
InChI=1S/C10H8/c1-2-4-10-7-5-9(10,3-1)6-8-10/h1-8H
HLHKYPRYFGATQL-UHFFFAOYSA-N
CSID:128054, http://www.chemspider.com/Chemical-Structure.128054.html (accessed 08:00, Apr 27, 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) = 3.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 172.02 (Adapted Stein & Brown method) Melting Pt (deg C): 11.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.91 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 55.04 log Kow used: 3.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 19.449 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.19E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.898E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.15 (KowWin est) Log Kaw used: 0.327 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.823 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3182 Biowin2 (Non-Linear Model) : 0.0935 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4895 (weeks-months) Biowin4 (Primary Survey Model) : 3.3545 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5126 Biowin6 (MITI Non-Linear Model): 0.4557 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4206 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.3674 BioHC Half-Life (days) : 233.0050 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 232 Pa (1.74 mm Hg) Log Koa (Koawin est ): 2.823 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.29E-008 Octanol/air (Koa) model: 1.63E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.67E-007 Mackay model : 1.03E-006 Octanol/air (Koa) model: 1.31E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 254.8000 E-12 cm3/molecule-sec Half-Life = 0.042 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.504 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.160000 E-17 cm3/molecule-sec Half-Life = 0.988 Days (at 7E11 mol/cm3) Half-Life = 23.710 Hrs Fraction sorbed to airborne particulates (phi): 7.51E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1636 Log Koc: 3.214 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 = 1.725 (BCF = 53.04) log Kow used: 3.15 (estimated) Volatilization from Water: Henry LC: 0.0519 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.173 hours Half-Life from Model Lake : 108.1 hours (4.504 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.37 percent Total biodegradation: 0.03 percent Total sludge adsorption: 3.58 percent Total to Air: 91.75 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.12 0.966 1000 Water 75 900 1000 Soil 21.5 1.8e+003 1000 Sediment 2.4 8.1e+003 0 Persistence Time: 104 hr
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