Try beta.chemspider
Tricyclo[5.2.1.0~2,6~]dec-4-en-3-yl formate
C1CC2CC1C3C2C(C=C3)OC=O
InChI=1S/C11H14O2/c12-6-13-10-4-3-9-7-1-2-8(5-7)11(9)10/h3-4,6-11H,1-2,5H2
DNJXQUGTFJIYHQ-UHFFFAOYSA-N
CSID:2299262, http://www.chemspider.com/Chemical-Structure.2299262.html (accessed 19:13, Apr 30, 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) = 2.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 234.20 (Adapted Stein & Brown method) Melting Pt (deg C): 32.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0511 (Modified Grain method) Subcooled liquid VP: 0.0596 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 610.3 log Kow used: 2.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 51.48 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.32E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.964E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.30 (KowWin est) Log Kaw used: -2.023 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.323 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8369 Biowin2 (Non-Linear Model) : 0.9896 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9455 (weeks ) Biowin4 (Primary Survey Model) : 3.8196 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6594 Biowin6 (MITI Non-Linear Model): 0.4865 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6981 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 7.95 Pa (0.0596 mm Hg) Log Koa (Koawin est ): 4.323 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.78E-007 Octanol/air (Koa) model: 5.16E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.36E-005 Mackay model : 3.02E-005 Octanol/air (Koa) model: 4.13E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 66.8692 E-12 cm3/molecule-sec Half-Life = 0.160 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.919 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): 2.19E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 520.7 Log Koc: 2.717 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.442E-001 L/mol-sec Kb Half-Life at pH 8: 23.307 days Kb Half-Life at pH 7: 233.068 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.071 (BCF = 11.77) log Kow used: 2.30 (estimated) Volatilization from Water: Henry LC: 0.000232 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.731 hours Half-Life from Model Lake : 163.6 hours (6.815 days) Removal In Wastewater Treatment: Total removal: 12.31 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.35 percent Total to Air: 9.87 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.25 1.01 1000 Water 28 360 1000 Soil 71.6 720 1000 Sediment 0.144 3.24e+003 0 Persistence Time: 308 hr
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