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Methyl 10-formyloctadecanoate
CCCCCCCCC(CCCCCCCCC(=O)OC)C=O
InChI=1S/C20H38O3/c1-3-4-5-6-9-12-15-19(18-21)16-13-10-7-8-11-14-17-20(22)23-2/h18-19H,3-17H2,1-2H3
ILYUELCFQNJINY-UHFFFAOYSA-N
CSID:9199057, http://www.chemspider.com/Chemical-Structure.9199057.html (accessed 05:29, May 11, 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) = 7.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 383.01 (Adapted Stein & Brown method) Melting Pt (deg C): 110.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.08E-006 (Modified Grain method) Subcooled liquid VP: 2.14E-005 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): 0.006595 log Kow used: 7.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.016551 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.50E-005 atm-m3/mole Group Method: 9.09E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.006E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.16 (KowWin est) Log Kaw used: -3.212 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.372 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1593 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9385 (weeks ) Biowin4 (Primary Survey Model) : 4.0713 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.1873 Biowin6 (MITI Non-Linear Model): 0.9907 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8776 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): 0.00285 Pa (2.14E-005 mm Hg) Log Koa (Koawin est ): 10.372 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00105 Octanol/air (Koa) model: 0.00578 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0366 Mackay model : 0.0776 Octanol/air (Koa) model: 0.316 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 49.3554 E-12 cm3/molecule-sec Half-Life = 0.217 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.601 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0571 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.233E+004 Log Koc: 4.091 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 = 3.092 (BCF = 1237) log Kow used: 7.16 (estimated) Volatilization from Water: Henry LC: 9.09E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 118.2 hours (4.926 days) Half-Life from Model Lake : 1441 hours (60.05 days) Removal In Wastewater Treatment: Total removal: 93.90 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.12 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.189 5.2 1000 Water 4.06 360 1000 Soil 28.8 720 1000 Sediment 67 3.24e+003 0 Persistence Time: 1.21e+003 hr
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