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Allyl propionate
CCC(=O)OCC=C
InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
XRFWKHVQMACVTA-UHFFFAOYSA-N
CSID:55257, http://www.chemspider.com/Chemical-Structure.55257.html (accessed 06:31, Apr 25, 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) = 1.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 124.07 (Adapted Stein & Brown method) Melting Pt (deg C): -58.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 13.1 (Mean VP of Antoine & Grain methods) BP (exp database): 124 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3649 log Kow used: 1.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4401.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.06E-004 atm-m3/mole Group Method: 2.28E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.392E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.71 (KowWin est) Log Kaw used: -1.903 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.613 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8674 Biowin2 (Non-Linear Model) : 0.9958 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0871 (weeks ) Biowin4 (Primary Survey Model) : 3.9120 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8341 Biowin6 (MITI Non-Linear Model): 0.9334 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7598 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): 1.63E+003 Pa (12.2 mm Hg) Log Koa (Koawin est ): 3.613 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.84E-009 Octanol/air (Koa) model: 1.01E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.66E-008 Mackay model : 1.48E-007 Octanol/air (Koa) model: 8.06E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.2512 E-12 cm3/molecule-sec Half-Life = 0.379 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.543 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 1.07E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 21.85 Log Koc: 1.339 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.926E-001 L/mol-sec Kb Half-Life at pH 8: 27.415 days Kb Half-Life at pH 7: 274.146 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.617 (BCF = 4.137) log Kow used: 1.71 (estimated) Volatilization from Water: Henry LC: 0.000228 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.834 hours Half-Life from Model Lake : 131.4 hours (5.475 days) Removal In Wastewater Treatment: Total removal: 11.68 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 percent Total to Air: 9.79 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.25 6.51 1000 Water 39.5 360 1000 Soil 58.2 720 1000 Sediment 0.107 3.24e+003 0 Persistence Time: 231 hr
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