Ethyl 2-cyanoacrylate
CCOC(=O)C(=C)C#N
InChI=1S/C6H7NO2/c1-3-9-6(8)5(2)4-7/h2-3H2,1H3
FGBJXOREULPLGL-UHFFFAOYSA-N
CSID:73564, http://www.chemspider.com/Chemical-Structure.73564.html (accessed 17:19, Apr 16, 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) = 1.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 204.14 (Adapted Stein & Brown method) Melting Pt (deg C): -9.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.293 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3213 log Kow used: 1.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0639e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Allylic/Vinyl Nitriles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.74E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.501E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.42 (KowWin est) Log Kaw used: -4.951 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.371 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1692 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9805 (weeks ) Biowin4 (Primary Survey Model) : 3.8310 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8175 Biowin6 (MITI Non-Linear Model): 0.8908 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8073 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): 35.9 Pa (0.269 mm Hg) Log Koa (Koawin est ): 6.371 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.36E-008 Octanol/air (Koa) model: 5.77E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.02E-006 Mackay model : 6.69E-006 Octanol/air (Koa) model: 4.61E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.5401 E-12 cm3/molecule-sec Half-Life = 2.356 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.271 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.008750 E-17 cm3/molecule-sec Half-Life = 130.971 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 4.86E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.847 Log Koc: 0.836 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.214E-003 L/mol-sec Kb Half-Life at pH 8: 6.834 years Kb Half-Life at pH 7: 68.343 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.391 (BCF = 2.463) log Kow used: 1.42 (estimated) Volatilization from Water: Henry LC: 2.74E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2391 hours (99.64 days) Half-Life from Model Lake : 2.618E+004 hours (1091 days) Removal In Wastewater Treatment: Total removal: 1.97 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.86 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.36 55.5 1000 Water 35.3 360 1000 Soil 62.3 720 1000 Sediment 0.0805 3.24e+003 0 Persistence Time: 463 hr
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