- Double-bond stereo
(2E)-2-Methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-yl acetate
C/C(=C\CCC1(C2CCC(C2)C1=C)C)/COC(=O)C
InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,15-16H,2,5,7-11H2,1,3-4H3/b12-6+
RCFGRZLLBGMERD-WUXMJOGZSA-N
CSID:4509092, http://www.chemspider.com/Chemical-Structure.4509092.html (accessed 14:09, Apr 19, 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) = 6.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 316.48 (Adapted Stein & Brown method) Melting Pt (deg C): 84.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00022 (Modified Grain method) Subcooled liquid VP: 0.00081 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): 0.1055 log Kow used: 6.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.29476 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.64E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.200E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.18 (KowWin est) Log Kaw used: -1.174 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.354 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6129 Biowin2 (Non-Linear Model) : 0.8374 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5474 (weeks-months) Biowin4 (Primary Survey Model) : 3.5447 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5950 Biowin6 (MITI Non-Linear Model): 0.4204 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0112 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.108 Pa (0.00081 mm Hg) Log Koa (Koawin est ): 7.354 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.78E-005 Octanol/air (Koa) model: 5.55E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.001 Mackay model : 0.00222 Octanol/air (Koa) model: 0.000444 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 147.7701 E-12 cm3/molecule-sec Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.869 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 44.137501 E-17 cm3/molecule-sec Half-Life = 0.026 Days (at 7E11 mol/cm3) Half-Life = 37.389 Min Fraction sorbed to airborne particulates (phi): 0.00161 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.157E+004 Log Koc: 4.064 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.467E-001 L/mol-sec Kb Half-Life at pH 8: 23.141 days Kb Half-Life at pH 7: 231.410 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.062 (BCF = 1.154e+004) log Kow used: 6.18 (estimated) Volatilization from Water: Henry LC: 0.00164 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.231 hours Half-Life from Model Lake : 160.2 hours (6.674 days) Removal In Wastewater Treatment: Total removal: 92.93 percent Total biodegradation: 0.76 percent Total sludge adsorption: 91.33 percent Total to Air: 0.84 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0121 0.459 1000 Water 3.13 900 1000 Soil 39 1.8e+003 1000 Sediment 57.8 8.1e+003 0 Persistence Time: 2.22e+003 hr
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