1-Phenylvinyl acetate
CC(=O)OC(=C)c1ccccc1
InChI=1S/C10H10O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-7H,1H2,2H3
HWCUCNKPBMGSSC-UHFFFAOYSA-N
CSID:67701, http://www.chemspider.com/Chemical-Structure.67701.html (accessed 02:31, Apr 19, 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) = 2.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 227.90 (Adapted Stein & Brown method) Melting Pt (deg C): 0.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0872 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 498.1 log Kow used: 2.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 447.68 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.22E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.736E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.49 (KowWin est) Log Kaw used: -2.671 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.161 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9726 Biowin2 (Non-Linear Model) : 0.9986 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0030 (weeks ) Biowin4 (Primary Survey Model) : 3.8476 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6272 Biowin6 (MITI Non-Linear Model): 0.7245 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5223 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): 10.9 Pa (0.082 mm Hg) Log Koa (Koawin est ): 5.161 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.74E-007 Octanol/air (Koa) model: 3.56E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.91E-006 Mackay model : 2.2E-005 Octanol/air (Koa) model: 2.85E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.2753 E-12 cm3/molecule-sec Half-Life = 0.201 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.409 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 1.59E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 221.1 Log Koc: 2.345 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.662E-001 L/mol-sec Kb Half-Life at pH 8: 30.136 days Kb Half-Life at pH 7: 301.358 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.219 (BCF = 16.55) log Kow used: 2.49 (estimated) Volatilization from Water: Henry LC: 5.22E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 15.58 hours Half-Life from Model Lake : 276.8 hours (11.53 days) Removal In Wastewater Treatment: Total removal: 5.69 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.91 percent Total to Air: 2.68 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.478 3.52 1000 Water 26 360 1000 Soil 73.3 720 1000 Sediment 0.178 3.24e+003 0 Persistence Time: 407 hr
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