Ethyl propionate
CCC(=O)OCC
InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
FKRCODPIKNYEAC-UHFFFAOYSA-N
CSID:7463, http://www.chemspider.com/Chemical-Structure.7463.html (accessed 00:15, Dec 5, 2023)
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) = 1.36 Log Kow (Exper. database match) = 1.21 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 102.30 (Adapted Stein & Brown method) Melting Pt (deg C): -69.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 38.9 (Mean VP of Antoine & Grain methods) MP (exp database): -73.9 deg C BP (exp database): 99.1 deg C VP (exp database): 3.59E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.067e+004 log Kow used: 1.21 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.92e+004 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13109 mg/L Wat Sol (Exper. database match) = 19200.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.09E-004 atm-m3/mole Group Method: 2.23E-004 atm-m3/mole Exper Database: 2.51E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.899E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.21 (exp database) Log Kaw used: -1.989 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.199 Log Koa (experimental database): 3.150 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8731 Biowin2 (Non-Linear Model) : 0.9965 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1137 (weeks ) Biowin4 (Primary Survey Model) : 3.9293 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8517 Biowin6 (MITI Non-Linear Model): 0.9489 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9008 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): 4.79E+003 Pa (35.9 mm Hg) Log Koa (Exp database): 3.150 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.27E-010 Octanol/air (Koa) model: 3.47E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.26E-008 Mackay model : 5.01E-008 Octanol/air (Koa) model: 2.77E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.1185 E-12 cm3/molecule-sec Half-Life = 5.049 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 60.586 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.64E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 11.85 Log Koc: 1.074 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.020E-001 L/mol-sec Kb Half-Life at pH 8: 78.647 days Kb Half-Life at pH 7: 2.153 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.232 (BCF = 1.705) log Kow used: 1.21 (expkow database) Volatilization from Water: Henry LC: 0.000251 atm-m3/mole (Henry experimental database) Half-Life from Model River: 3.389 hours Half-Life from Model Lake : 121.7 hours (5.071 days) Removal In Wastewater Treatment: Total removal: 12.34 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.65 percent Total to Air: 10.60 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 18.4 120 1000 Water 42.1 360 1000 Soil 39.4 720 1000 Sediment 0.0888 3.24e+003 0 Persistence Time: 222 hr
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