Methyl propionate
CCC(=O)OC
InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
RJUFJBKOKNCXHH-UHFFFAOYSA-N
CSID:10653, http://www.chemspider.com/Chemical-Structure.10653.html (accessed 21:34, 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) = 0.86 Log Kow (Exper. database match) = 0.84 Exper. Ref: Catz,P & Friend,DR (1989) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 77.91 (Adapted Stein & Brown method) Melting Pt (deg C): -82.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 87.9 (Mean VP of Antoine & Grain methods) MP (exp database): -87.5 deg C BP (exp database): 79.8 deg C VP (exp database): 8.40E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.411e+004 log Kow used: 0.84 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 6.24e+004 mg/L (25 deg C) Exper. Ref: HINE,J & MOOKERJEE,PK (1975) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 38942 mg/L Wat Sol (Exper. database match) = 62400.00 Exper. Ref: HINE,J & MOOKERJEE,PK (1975) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.33E-004 atm-m3/mole Group Method: 1.65E-004 atm-m3/mole Exper Database: 1.74E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.227E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.84 (exp database) Log Kaw used: -2.148 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.988 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8798 Biowin2 (Non-Linear Model) : 0.9971 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1447 (weeks ) Biowin4 (Primary Survey Model) : 3.9496 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8440 Biowin6 (MITI Non-Linear Model): 0.9477 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8748 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): 1.12E+004 Pa (84 mm Hg) Log Koa (Koawin est ): 2.988 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.68E-010 Octanol/air (Koa) model: 2.39E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.67E-009 Mackay model : 2.14E-008 Octanol/air (Koa) model: 1.91E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.6744 E-12 cm3/molecule-sec Half-Life = 15.860 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.56E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.423 Log Koc: 0.808 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.080E-001 L/mol-sec Kb Half-Life at pH 8: 74.282 days Kb Half-Life at pH 7: 2.034 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.84 (expkow database) Volatilization from Water: Henry LC: 0.000174 atm-m3/mole (Henry experimental database) Half-Life from Model River: 4.116 hours Half-Life from Model Lake : 123.6 hours (5.151 days) Removal In Wastewater Treatment: Total removal: 9.60 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.66 percent Total to Air: 7.86 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 19.9 257 1000 Water 42.6 360 1000 Soil 37.5 720 1000 Sediment 0.083 3.24e+003 0 Persistence Time: 242 hr
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