1,12-Dodecanediyl bis(2-methylacrylate)
CC(=C)C(=O)OCCCCCCCCCCCCOC(=O)C(=C)C
InChI=1S/C20H34O4/c1-17(2)19(21)23-15-13-11-9-7-5-6-8-10-12-14-16-24-20(22)18(3)4/h1,3,5-16H2,2,4H3
HYQASEVIBPSPMK-UHFFFAOYSA-N
CSID:152707, http://www.chemspider.com/Chemical-Structure.152707.html (accessed 10:12, 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) = 7.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 361.93 (Adapted Stein & Brown method) Melting Pt (deg C): -12.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.87E-005 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.00604 log Kow used: 7.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.014339 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Methacrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.43E-006 atm-m3/mole Group Method: 1.17E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.066E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.12 (KowWin est) Log Kaw used: -3.580 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.700 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9348 Biowin2 (Non-Linear Model) : 0.9983 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7316 (weeks-months) Biowin4 (Primary Survey Model) : 3.8173 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0112 Biowin6 (MITI Non-Linear Model): 0.9504 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0384 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00916 Pa (6.87E-005 mm Hg) Log Koa (Koawin est ): 10.700 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000328 Octanol/air (Koa) model: 0.0123 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0117 Mackay model : 0.0255 Octanol/air (Koa) model: 0.496 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 54.0587 E-12 cm3/molecule-sec Half-Life = 0.198 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.374 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.275000 E-17 cm3/molecule-sec Half-Life = 0.504 Days (at 7E11 mol/cm3) Half-Life = 12.090 Hrs Fraction sorbed to airborne particulates (phi): 0.0186 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.237E+004 Log Koc: 4.092 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.430E-003 L/mol-sec Kb Half-Life at pH 8: 9.040 years Kb Half-Life at pH 7: 90.399 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.146 (BCF = 1399) log Kow used: 7.12 (estimated) Volatilization from Water: Henry LC: 1.17E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 93.94 hours (3.914 days) Half-Life from Model Lake : 1179 hours (49.13 days) Removal In Wastewater Treatment: Total removal: 93.89 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.11 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0515 3.41 1000 Water 2.09 900 1000 Soil 28.7 1.8e+003 1000 Sediment 69.2 8.1e+003 0 Persistence Time: 3.03e+003 hr
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