Try beta.chemspider
- Double-bond stereo
(4E,7Z)-4,7-Tridecadien-1-yl acetate
CCCCC/C=C\C/C=C/CCCOC(=O)C
InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+
LELQZCNRZHLYFG-QEFCTBRHSA-N
CSID:4941981, http://www.chemspider.com/Chemical-Structure.4941981.html (accessed 13:59, Jun 28, 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) = 5.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 305.51 (Adapted Stein & Brown method) Melting Pt (deg C): 29.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00133 (Modified Grain method) Subcooled liquid VP: 0.00146 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): 0.2842 log Kow used: 5.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.63844 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.06E-003 atm-m3/mole Group Method: 4.88E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.468E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.84 (KowWin est) Log Kaw used: -0.780 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.620 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9167 Biowin2 (Non-Linear Model) : 0.9961 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1109 (weeks ) Biowin4 (Primary Survey Model) : 4.0019 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7676 Biowin6 (MITI Non-Linear Model): 0.8428 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4449 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): 0.195 Pa (0.00146 mm Hg) Log Koa (Koawin est ): 6.620 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.54E-005 Octanol/air (Koa) model: 1.02E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000556 Mackay model : 0.00123 Octanol/air (Koa) model: 8.19E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 123.4672 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 138.6672 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.040 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 0.926 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 26.000000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 40.000000 E-17 cm3/molecule-sec [Trans-] Half-Life = 1.058 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 0.688 Hrs (at 7E11 mol/cm3) [Trans-isomer] Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.000894 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5151 Log Koc: 3.712 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.568E-002 L/mol-sec Kb Half-Life at pH 8: 175.623 days Kb Half-Life at pH 7: 4.808 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.794 (BCF = 622.2) log Kow used: 5.84 (estimated) Volatilization from Water: Henry LC: 0.000488 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.428 hours Half-Life from Model Lake : 166.9 hours (6.952 days) Removal In Wastewater Treatment: Total removal: 91.46 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.10 percent Total to Air: 0.61 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.053 0.701 1000 Water 8.09 360 1000 Soil 45.4 720 1000 Sediment 46.4 3.24e+003 0 Persistence Time: 762 hr
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