Try beta.chemspider
Bicyclo[4.2.0]octa-1(6),3-diene
C1CC2=C1CC=CC2
InChI=1S/C8H10/c1-2-4-8-6-5-7(8)3-1/h1-2H,3-6H2
VRPRVDZCEKEPEJ-UHFFFAOYSA-N
CSID:2033978, http://www.chemspider.com/Chemical-Structure.2033978.html (accessed 11:13, May 13, 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): 147.01 (Adapted Stein & Brown method) Melting Pt (deg C): -28.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.86 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 65.89 log Kow used: 3.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 116.94 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.242E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6970 Biowin2 (Non-Linear Model) : 0.8177 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9646 (weeks ) Biowin4 (Primary Survey Model) : 3.6946 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4876 Biowin6 (MITI Non-Linear Model): 0.6139 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2090 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.4132 BioHC Half-Life (days) : 25.8969 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 719 Pa (5.39 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.17E-009 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.51E-007 Mackay model : 3.34E-007 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 59.4889 E-12 cm3/molecule-sec Half-Life = 0.180 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.158 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): 2.42E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 540.1 Log Koc: 2.732 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 = 1.728 (BCF = 53.5) log Kow used: 3.15 (estimated) Volatilization from Water: Henry LC: 0.0124 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.1 hours Half-Life from Model Lake : 98.4 hours (4.1 days) Removal In Wastewater Treatment: Total removal: 83.40 percent Total biodegradation: 0.05 percent Total sludge adsorption: 4.05 percent Total to Air: 79.31 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.8 1.04 1000 Water 45 360 1000 Soil 53.2 720 1000 Sediment 0.998 3.24e+003 0 Persistence Time: 138 hr
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