Methyl myristate
CCCCCCCCCCCCCC(=O)OC
InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3
ZAZKJZBWRNNLDS-UHFFFAOYSA-N
CSID:29024, http://www.chemspider.com/Chemical-Structure.29024.html (accessed 08:55, Mar 27, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 6.27 Log Kow (Exper. database match) = 6.41 Exper. Ref: Krop,HB et al. (1997) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 296.50 (Adapted Stein & Brown method) Melting Pt (deg C): 35.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00254 (Modified Grain method) MP (exp database): 19 deg C BP (exp database): 295 deg C VP (exp database): 4.90E-04 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.08744 log Kow used: 6.41 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.13266 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.25E-003 atm-m3/mole Group Method: 7.39E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.265E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.41 (exp database) Log Kaw used: -0.668 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.078 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9148 Biowin2 (Non-Linear Model) : 0.9959 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1020 (weeks ) Biowin4 (Primary Survey Model) : 3.9960 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9285 Biowin6 (MITI Non-Linear Model): 0.9596 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8429 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): 0.0653 Pa (0.00049 mm Hg) Log Koa (Koawin est ): 7.078 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.59E-005 Octanol/air (Koa) model: 2.94E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00166 Mackay model : 0.00366 Octanol/air (Koa) model: 0.000235 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.0203 E-12 cm3/molecule-sec Half-Life = 0.668 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.012 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00266 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5396 Log Koc: 3.732 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 = 2.736 (BCF = 544.1) log Kow used: 6.41 (expkow database) Volatilization from Water: Henry LC: 0.00739 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.712 hours Half-Life from Model Lake : 149.2 hours (6.218 days) Removal In Wastewater Treatment: Total removal: 93.64 percent Total biodegradation: 0.74 percent Total sludge adsorption: 90.84 percent Total to Air: 2.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.717 16 1000 Water 5.16 360 1000 Soil 34.8 720 1000 Sediment 59.3 3.24e+003 0 Persistence Time: 994 hr
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