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- Double-bond stereo
Methyl (4E)-4-decenoate
CCCCC/C=C/CCC(=O)OC
InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
CRHITZQXHNFRAZ-BQYQJAHWSA-N
CSID:4518520, http://www.chemspider.com/Chemical-Structure.4518520.html (accessed 21:56, May 2, 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) = 4.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 235.33 (Adapted Stein & Brown method) Melting Pt (deg C): 0.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0592 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 16.97 log Kow used: 4.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 31.375 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.49E-003 atm-m3/mole Group Method: 4.88E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.459E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.09 (KowWin est) Log Kaw used: -1.215 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.305 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9424 Biowin2 (Non-Linear Model) : 0.9982 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2305 (weeks ) Biowin4 (Primary Survey Model) : 4.0799 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8173 Biowin6 (MITI Non-Linear Model): 0.9109 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5400 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): 7.51 Pa (0.0563 mm Hg) Log Koa (Koawin est ): 5.305 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4E-007 Octanol/air (Koa) model: 4.95E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.44E-005 Mackay model : 3.2E-005 Octanol/air (Koa) model: 3.96E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.4136 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 71.0136 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 2.024 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.807 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): 2.32E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 466.3 Log Koc: 2.669 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.145E-002 L/mol-sec Kb Half-Life at pH 8: 155.913 days Kb Half-Life at pH 7: 4.269 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.447 (BCF = 279.8) log Kow used: 4.09 (estimated) Volatilization from Water: Henry LC: 0.000488 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.014 hours Half-Life from Model Lake : 146.7 hours (6.113 days) Removal In Wastewater Treatment: Total removal: 43.92 percent Total biodegradation: 0.31 percent Total sludge adsorption: 31.82 percent Total to Air: 11.79 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.212 1.39 1000 Water 17.1 360 1000 Soil 80.1 720 1000 Sediment 2.65 3.24e+003 0 Persistence Time: 424 hr
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