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- Double-bond stereo
(5Z)-5-Dodecen-1-yl acetate
CCCCCC/C=C\CCCCOC(=O)C
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h8-9H,3-7,10-13H2,1-2H3/b9-8-
FOEWNRTZASNZJY-HJWRWDBZSA-N
CSID:4515741, http://www.chemspider.com/Chemical-Structure.4515741.html (accessed 13:25, 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) = 5.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 285.97 (Adapted Stein & Brown method) Melting Pt (deg C): 22.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0041 (Modified Grain method) BP (exp database): 98-100 @ 0.05 mm Hg deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.5682 log Kow used: 5.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.94374 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.48E-003 atm-m3/mole Group Method: 1.31E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.149E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.56 (KowWin est) Log Kaw used: -0.847 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.407 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9224 Biowin2 (Non-Linear Model) : 0.9967 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1375 (weeks ) Biowin4 (Primary Survey Model) : 4.0192 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8404 Biowin6 (MITI Non-Linear Model): 0.9167 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6179 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): 0.547 Pa (0.0041 mm Hg) Log Koa (Koawin est ): 6.407 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.49E-006 Octanol/air (Koa) model: 6.27E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000198 Mackay model : 0.000439 Octanol/air (Koa) model: 5.01E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 68.9593 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 76.5593 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.861 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.677 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-] Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer] Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.000319 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2793 Log Koc: 3.446 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 = 2.581 (BCF = 381.4) log Kow used: 5.56 (estimated) Volatilization from Water: Henry LC: 0.00131 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.208 hours Half-Life from Model Lake : 150.2 hours (6.26 days) Removal In Wastewater Treatment: Total removal: 89.65 percent Total biodegradation: 0.71 percent Total sludge adsorption: 86.28 percent Total to Air: 2.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.134 1.35 1000 Water 9.79 360 1000 Soil 55.3 720 1000 Sediment 34.7 3.24e+003 0 Persistence Time: 625 hr
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