3-(Acryloyloxy)-2-[(acryloyloxy)methyl]-2-(hydroxymethyl)propyl acrylate
C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C
InChI=1S/C14H18O7/c1-4-11(16)19-8-14(7-15,9-20-12(17)5-2)10-21-13(18)6-3/h4-6,15H,1-3,7-10H2
HVVWZTWDBSEWIH-UHFFFAOYSA-N
CSID:17977, http://www.chemspider.com/Chemical-Structure.17977.html (accessed 18:28, Mar 28, 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) = 0.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 355.80 (Adapted Stein & Brown method) Melting Pt (deg C): 40.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0358 (Modified Grain method) BP (exp database): 205-215 deg C Subcooled liquid VP: 0.0491 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6832 log Kow used: 0.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6258.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.66E-014 atm-m3/mole Group Method: 5.35E-017 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.057E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.91 (KowWin est) Log Kaw used: -12.168 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.078 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1029 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9085 (weeks ) Biowin4 (Primary Survey Model) : 4.0803 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.3380 Biowin6 (MITI Non-Linear Model): 0.9903 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5924 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): 6.55 Pa (0.0491 mm Hg) Log Koa (Koawin est ): 13.078 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.58E-007 Octanol/air (Koa) model: 2.94 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.66E-005 Mackay model : 3.67E-005 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.2902 E-12 cm3/molecule-sec Half-Life = 0.287 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.442 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.525000 E-17 cm3/molecule-sec Half-Life = 2.183 Days (at 7E11 mol/cm3) Half-Life = 52.389 Hrs Fraction sorbed to airborne particulates (phi): 2.66E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 57.97 Log Koc: 1.763 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.421E-002 L/mol-sec Kb Half-Life at pH 8: 331.330 days Kb Half-Life at pH 7: 9.071 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.91 (estimated) Volatilization from Water: Henry LC: 5.35E-017 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.89E+013 hours (7.875E+011 days) Half-Life from Model Lake : 2.062E+014 hours (8.591E+012 days) Removal In Wastewater Treatment: Total removal: 1.88 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 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 1.21e-009 6.08 1000 Water 35.3 360 1000 Soil 64.7 720 1000 Sediment 0.0695 3.24e+003 0 Persistence Time: 604 hr
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