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Methyl 10-undecenoate
COC(=O)CCCCCCCCC=C
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
KISVAASFGZJBCY-UHFFFAOYSA-N
CSID:7846, http://www.chemspider.com/Chemical-Structure.7846.html (accessed 09:17, May 10, 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) = 4.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 246.41 (Adapted Stein & Brown method) Melting Pt (deg C): 11.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0303 (Mean VP of Antoine & Grain methods) MP (exp database): -27.5 deg C BP (exp database): 248 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.709 log Kow used: 4.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.5857 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.67E-003 atm-m3/mole Group Method: 8.29E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.679E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.66 (KowWin est) Log Kaw used: -1.166 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.826 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8273 Biowin2 (Non-Linear Model) : 0.9862 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9011 (weeks ) Biowin4 (Primary Survey Model) : 3.7906 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8802 Biowin6 (MITI Non-Linear Model): 0.9420 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9157 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): 3.93 Pa (0.0295 mm Hg) Log Koa (Koawin est ): 5.826 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.63E-007 Octanol/air (Koa) model: 1.64E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.75E-005 Mackay model : 6.1E-005 Octanol/air (Koa) model: 1.32E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 36.5008 E-12 cm3/molecule-sec Half-Life = 0.293 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.516 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 4.43E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 860.1 Log Koc: 2.935 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.016E-002 L/mol-sec Kb Half-Life at pH 8: 266.000 days Kb Half-Life at pH 7: 7.283 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.886 (BCF = 76.84) log Kow used: 4.66 (estimated) Volatilization from Water: Henry LC: 0.000829 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.432 hours Half-Life from Model Lake : 144.6 hours (6.025 days) Removal In Wastewater Treatment: Total removal: 69.55 percent Total biodegradation: 0.51 percent Total sludge adsorption: 59.63 percent Total to Air: 9.41 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.738 5.38 1000 Water 15 360 1000 Soil 76.1 720 1000 Sediment 8.18 3.24e+003 0 Persistence Time: 451 hr
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