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Bicyclo[2.1.0]pent-2-ene
C1C2C1C=C2
InChI=1S/C5H6/c1-2-5-3-4(1)5/h1-2,4-5H,3H2
CGKPQMCLTLUAOW-UHFFFAOYSA-N
CSID:122045, http://www.chemspider.com/Chemical-Structure.122045.html (accessed 14:31, Apr 24, 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) = 2.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 55.81 (Adapted Stein & Brown method) Melting Pt (deg C): -83.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 246 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 513.5 log Kow used: 2.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 125.87 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.20E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.167E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.21 (KowWin est) Log Kaw used: -0.046 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.256 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7161 Biowin2 (Non-Linear Model) : 0.8880 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0531 (weeks ) Biowin4 (Primary Survey Model) : 3.7524 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5725 Biowin6 (MITI Non-Linear Model): 0.6575 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6479 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.2014 BioHC Half-Life (days) : 15.8990 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.24E+004 Pa (243 mm Hg) Log Koa (Koawin est ): 2.256 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.26E-011 Octanol/air (Koa) model: 4.43E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.34E-009 Mackay model : 7.41E-009 Octanol/air (Koa) model: 3.54E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 56.4611 E-12 cm3/molecule-sec Half-Life = 0.189 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.273 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs Fraction sorbed to airborne particulates (phi): 5.38E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 86.09 Log Koc: 1.935 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 = 1.002 (BCF = 10.04) log Kow used: 2.21 (estimated) Volatilization from Water: Henry LC: 0.022 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.8513 hours (51.08 min) Half-Life from Model Lake : 77.46 hours (3.227 days) Removal In Wastewater Treatment: Total removal: 89.58 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.81 percent Total to Air: 88.73 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.72 1.06 1000 Water 87.3 360 1000 Soil 10.6 720 1000 Sediment 0.397 3.24e+003 0 Persistence Time: 70.9 hr
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