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7-Methylenebicyclo[2.2.1]hepta-2,5-diene
C=C1C2C=CC1C=C2
InChI=1S/C8H8/c1-6-7-2-3-8(6)5-4-7/h2-5,7-8H,1H2
OWNNLXWCBCZDHM-UHFFFAOYSA-N
CSID:125452, http://www.chemspider.com/Chemical-Structure.125452.html (accessed 14:15, Jun 16, 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) = 3.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 130.15 (Adapted Stein & Brown method) Melting Pt (deg C): -41.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 12.2 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 82.62 log Kow used: 3.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 80.901 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.08E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.024E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.05 (KowWin est) Log Kaw used: 0.462 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.588 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6980 Biowin2 (Non-Linear Model) : 0.8220 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9690 (weeks ) Biowin4 (Primary Survey Model) : 3.6975 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4643 Biowin6 (MITI Non-Linear Model): 0.3615 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4738 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.0860 BioHC Half-Life (days) : 12.1913 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.51E+003 Pa (11.3 mm Hg) Log Koa (Koawin est ): 2.588 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.99E-009 Octanol/air (Koa) model: 9.51E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.19E-008 Mackay model : 1.59E-007 Octanol/air (Koa) model: 7.6E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 165.7893 E-12 cm3/molecule-sec Half-Life = 0.065 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.774 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 41.200001 E-17 cm3/molecule-sec Half-Life = 0.028 Days (at 7E11 mol/cm3) Half-Life = 40.054 Min Fraction sorbed to airborne particulates (phi): 1.16E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 484.2 Log Koc: 2.685 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 = 1.645 (BCF = 44.21) log Kow used: 3.05 (estimated) Volatilization from Water: Henry LC: 0.0708 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.05 hours Half-Life from Model Lake : 97.03 hours (4.043 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 96.54 percent Total biodegradation: 0.03 percent Total sludge adsorption: 2.90 percent Total to Air: 93.61 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.706 0.467 1000 Water 80.5 360 1000 Soil 17.3 720 1000 Sediment 1.48 3.24e+003 0 Persistence Time: 76.5 hr
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