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6-Methylheptyl acrylate
CC(C)CCCCCOC(=O)C=C
InChI=1S/C11H20O2/c1-4-11(12)13-9-7-5-6-8-10(2)3/h4,10H,1,5-9H2,2-3H3
DXPPIEDUBFUSEZ-UHFFFAOYSA-N
CSID:145252, http://www.chemspider.com/Chemical-Structure.145252.html (accessed 06:59, May 13, 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) = 4.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 216.92 (Adapted Stein & Brown method) Melting Pt (deg C): -10.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.153 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 16.8 log Kow used: 4.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 24.593 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.72E-004 atm-m3/mole Group Method: 6.00E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.208E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.09 (KowWin est) Log Kaw used: -1.561 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.651 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8340 Biowin2 (Non-Linear Model) : 0.9887 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9321 (weeks ) Biowin4 (Primary Survey Model) : 3.8108 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7234 Biowin6 (MITI Non-Linear Model): 0.8610 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5923 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): 18.9 Pa (0.142 mm Hg) Log Koa (Koawin est ): 5.651 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.58E-007 Octanol/air (Koa) model: 1.1E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.72E-006 Mackay model : 1.27E-005 Octanol/air (Koa) model: 8.79E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.4161 E-12 cm3/molecule-sec Half-Life = 0.551 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.611 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): 9.2E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 390.9 Log Koc: 2.592 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.071E-002 L/mol-sec Kb Half-Life at pH 8: 1.061 years Kb Half-Life at pH 7: 10.607 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.451 (BCF = 282.4) log Kow used: 4.09 (estimated) Volatilization from Water: Henry LC: 0.0006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.71 hours Half-Life from Model Lake : 143.4 hours (5.975 days) Removal In Wastewater Treatment: Total removal: 45.55 percent Total biodegradation: 0.31 percent Total sludge adsorption: 31.46 percent Total to Air: 13.78 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.63 12.2 1000 Water 16.6 360 1000 Soil 79.2 720 1000 Sediment 2.57 3.24e+003 0 Persistence Time: 427 hr
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