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Dodecyl propionate
CCCCCCCCCCCCOC(=O)CC
InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h3-14H2,1-2H3
FVGJPCFYGPKBKJ-UHFFFAOYSA-N
CSID:72585, http://www.chemspider.com/Chemical-Structure.72585.html (accessed 00:20, Jul 6, 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) = 6.27 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): 0.00188 (Modified Grain method) Subcooled liquid VP: 0.00235 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): 0.116 log Kow used: 6.27 (estimated) 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: 7.05E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.169E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.27 (KowWin est) Log Kaw used: -0.668 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.938 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): 0.313 Pa (0.00235 mm Hg) Log Koa (Koawin est ): 6.938 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.57E-006 Octanol/air (Koa) model: 2.13E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000346 Mackay model : 0.000765 Octanol/air (Koa) model: 0.00017 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.3285 E-12 cm3/molecule-sec Half-Life = 0.655 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.861 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000556 (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 : 3.856E-002 L/mol-sec Kb Half-Life at pH 8: 208.057 days Kb Half-Life at pH 7: 5.696 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.625 (BCF = 421.7) log Kow used: 6.27 (estimated) Volatilization from Water: Henry LC: 0.00705 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.718 hours Half-Life from Model Lake : 149.3 hours (6.221 days) Removal In Wastewater Treatment: Total removal: 93.47 percent Total biodegradation: 0.73 percent Total sludge adsorption: 90.08 percent Total to Air: 2.66 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.772 15.7 1000 Water 5.61 360 1000 Soil 37 720 1000 Sediment 56.6 3.24e+003 0 Persistence Time: 934 hr
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