Ethyl hydroxy(4-hydroxyphenyl)acetate
CCOC(=O)C(c1ccc(cc1)O)O
InChI=1S/C10H12O4/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,11-12H,2H2,1H3
VLOUFSKXRCPIQR-UHFFFAOYSA-N
CSID:99912, http://www.chemspider.com/Chemical-Structure.99912.html (accessed 12:13, Jun 4, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 325.44 (Adapted Stein & Brown method) Melting Pt (deg C): 102.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.54E-006 (Modified Grain method) Subcooled liquid VP: 2.61E-005 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): 1.895e+005 log Kow used: 0.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.8692e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Phenols Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.05E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.185E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.55 (KowWin est) Log Kaw used: -7.904 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.454 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1029 Biowin2 (Non-Linear Model) : 0.9982 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1221 (weeks ) Biowin4 (Primary Survey Model) : 3.9628 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7705 Biowin6 (MITI Non-Linear Model): 0.8800 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8192 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): 0.00348 Pa (2.61E-005 mm Hg) Log Koa (Koawin est ): 8.454 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000862 Octanol/air (Koa) model: 6.98E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0302 Mackay model : 0.0645 Octanol/air (Koa) model: 0.00555 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 44.1517 E-12 cm3/molecule-sec Half-Life = 0.242 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.907 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0474 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 21.36 Log Koc: 1.330 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.727E-001 L/mol-sec Kb Half-Life at pH 8: 16.970 days Kb Half-Life at pH 7: 169.700 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.55 (estimated) Volatilization from Water: Henry LC: 3.05E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.689E+006 hours (1.12E+005 days) Half-Life from Model Lake : 2.933E+007 hours (1.222E+006 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 0.00721 5.82 1000 Water 37.3 360 1000 Soil 62.6 720 1000 Sediment 0.0705 3.24e+003 0 Persistence Time: 587 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight