Try beta.chemspider
5-Methylenebicyclo[2.2.0]hex-2-ene
C=C1CC2C1C=C2
InChI=1S/C7H8/c1-5-4-6-2-3-7(5)6/h2-3,6-7H,1,4H2
QPKRDQSHPVHXQQ-UHFFFAOYSA-N
CSID:127230, http://www.chemspider.com/Chemical-Structure.127230.html (accessed 14:55, Apr 26, 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) = 2.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 101.51 (Adapted Stein & Brown method) Melting Pt (deg C): -54.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 40.6 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 301.5 log Kow used: 2.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 179.11 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.06E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.633E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.43 (KowWin est) Log Kaw used: 0.394 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.036 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7037 Biowin2 (Non-Linear Model) : 0.8456 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9955 (weeks ) Biowin4 (Primary Survey Model) : 3.7148 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5074 Biowin6 (MITI Non-Linear Model): 0.4893 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5009 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.1881 BioHC Half-Life (days) : 15.4203 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.15E+003 Pa (38.6 mm Hg) Log Koa (Koawin est ): 2.036 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.83E-010 Octanol/air (Koa) model: 2.67E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.11E-008 Mackay model : 4.66E-008 Octanol/air (Koa) model: 2.13E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 108.5389 E-12 cm3/molecule-sec Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.183 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 21.200001 E-17 cm3/molecule-sec Half-Life = 0.054 Days (at 7E11 mol/cm3) Half-Life = 1.297 Hrs Fraction sorbed to airborne particulates (phi): 3.38E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 262.5 Log Koc: 2.419 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 = 1.169 (BCF = 14.77) log Kow used: 2.43 (estimated) Volatilization from Water: Henry LC: 0.0606 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.9888 hours (59.33 min) Half-Life from Model Lake : 91.27 hours (3.803 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.93 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.95 percent Total to Air: 94.95 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.44 0.838 1000 Water 91.2 360 1000 Soil 6.78 720 1000 Sediment 0.569 3.24e+003 0 Persistence Time: 67.5 hr
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