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4-Hydroxybutyl acrylate
C=CC(=O)OCCCCO
InChI=1S/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2
NDWUBGAGUCISDV-UHFFFAOYSA-N
CSID:68112, http://www.chemspider.com/Chemical-Structure.68112.html (accessed 12:58, Apr 26, 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) = 0.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 223.51 (Adapted Stein & Brown method) Melting Pt (deg C): 6.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0175 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.117e+004 log Kow used: 0.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 39222 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.91E-009 atm-m3/mole Group Method: 1.44E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.427E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.74 (KowWin est) Log Kaw used: -6.490 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.230 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0118 Biowin2 (Non-Linear Model) : 0.9979 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1807 (weeks ) Biowin4 (Primary Survey Model) : 3.9981 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0043 Biowin6 (MITI Non-Linear Model): 0.9739 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0241 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): 2.15 Pa (0.0161 mm Hg) Log Koa (Koawin est ): 7.230 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.4E-006 Octanol/air (Koa) model: 4.17E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.05E-005 Mackay model : 0.000112 Octanol/air (Koa) model: 0.000333 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.0301 E-12 cm3/molecule-sec Half-Life = 0.593 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.119 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): 8.11E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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 = 0.500 (BCF = 3.162) log Kow used: 0.74 (estimated) Volatilization from Water: Henry LC: 1.44E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.882E+005 hours (2.034E+004 days) Half-Life from Model Lake : 5.326E+006 hours (2.219E+005 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 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 0.0322 13.1 1000 Water 36.5 360 1000 Soil 63.4 720 1000 Sediment 0.0703 3.24e+003 0 Persistence Time: 589 hr
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