Diethyl 2-vinyl-1,1-cyclopropanedicarboxylate
CCOC(=O)C1(CC1C=C)C(=O)OCC
InChI=1S/C11H16O4/c1-4-8-7-11(8,9(12)14-5-2)10(13)15-6-3/h4,8H,1,5-7H2,2-3H3
UOQTXZICFVMERR-UHFFFAOYSA-N
CSID:99669, http://www.chemspider.com/Chemical-Structure.99669.html (accessed 13:20, Dec 11, 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) = 2.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 231.30 (Adapted Stein & Brown method) Melting Pt (deg C): -23.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.073 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 320 log Kow used: 2.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 538.01 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.51E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.371E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.43 (KowWin est) Log Kaw used: -4.513 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.943 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8109 Biowin2 (Non-Linear Model) : 0.9984 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7984 (weeks ) Biowin4 (Primary Survey Model) : 3.8460 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9862 Biowin6 (MITI Non-Linear Model): 0.9416 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4373 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): 9.2 Pa (0.069 mm Hg) Log Koa (Koawin est ): 6.943 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.26E-007 Octanol/air (Koa) model: 2.15E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.18E-005 Mackay model : 2.61E-005 Octanol/air (Koa) model: 0.000172 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.7103 E-12 cm3/molecule-sec Half-Life = 0.360 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.320 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): 1.89E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 62.53 Log Koc: 1.796 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.401E-002 L/mol-sec Kb Half-Life at pH 8: 334.081 days Kb Half-Life at pH 7: 9.147 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = -0.481 (BCF = 0.3302) log Kow used: 2.43 (estimated) Volatilization from Water: Henry LC: 7.51E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1137 hours (47.39 days) Half-Life from Model Lake : 1.253E+004 hours (522 days) Removal In Wastewater Treatment: Total removal: 2.95 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.81 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.608 6.27 1000 Water 27.6 360 1000 Soil 71.7 720 1000 Sediment 0.172 3.24e+003 0 Persistence Time: 449 hr
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