Try beta.chemspider
Vinyl propionate
CCC(=O)OC=C
InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3
UIWXSTHGICQLQT-UHFFFAOYSA-N
CSID:7464, http://www.chemspider.com/Chemical-Structure.7464.html (accessed 15:11, Apr 24, 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) = 1.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 100.51 (Adapted Stein & Brown method) Melting Pt (deg C): -70.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 54.5 (Mean VP of Antoine & Grain methods) MP (exp database): -80 deg C BP (exp database): 91.2 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.063e+004 log Kow used: 1.22 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13296 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.55E-003 atm-m3/mole Group Method: 4.25E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.754E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.22 (KowWin est) Log Kaw used: -1.198 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.418 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8741 Biowin2 (Non-Linear Model) : 0.9966 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1181 (weeks ) Biowin4 (Primary Survey Model) : 3.9323 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8264 Biowin6 (MITI Non-Linear Model): 0.9319 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7338 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): 6.96E+003 Pa (52.2 mm Hg) Log Koa (Koawin est ): 2.418 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.31E-010 Octanol/air (Koa) model: 6.43E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.56E-008 Mackay model : 3.45E-008 Octanol/air (Koa) model: 5.14E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.7568 E-12 cm3/molecule-sec Half-Life = 0.400 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.797 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 2.5E-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 : 4.783E-001 L/mol-sec Kb Half-Life at pH 8: 16.772 days Kb Half-Life at pH 7: 167.719 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.239 (BCF = 1.732) log Kow used: 1.22 (estimated) Volatilization from Water: Henry LC: 0.000425 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.399 hours Half-Life from Model Lake : 110.1 hours (4.587 days) Removal In Wastewater Treatment: Total removal: 17.64 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.57 percent Total to Air: 15.99 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.3 9.04 1000 Water 53.5 360 1000 Soil 41.1 720 1000 Sediment 0.113 3.24e+003 0 Persistence Time: 153 hr
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