2,4-Dihydroxybutanoic acid
C(CO)C(C(=O)O)O
InChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8)
UFYGCFHQAXXBCF-UHFFFAOYSA-N
CSID:167259, http://www.chemspider.com/Chemical-Structure.167259.html (accessed 15:37, Feb 29, 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) = -1.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 287.59 (Adapted Stein & Brown method) Melting Pt (deg C): 79.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.11E-005 (Modified Grain method) Subcooled liquid VP: 0.000168 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): 1e+006 log Kow used: -1.22 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.51E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.076E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.22 (KowWin est) Log Kaw used: -6.647 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.427 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0805 Biowin2 (Non-Linear Model) : 0.9850 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.6183 (days-weeks ) Biowin4 (Primary Survey Model) : 4.3189 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9064 Biowin6 (MITI Non-Linear Model): 0.9508 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.1745 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): 0.0224 Pa (0.000168 mm Hg) Log Koa (Koawin est ): 5.427 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000134 Octanol/air (Koa) model: 6.56E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00481 Mackay model : 0.0106 Octanol/air (Koa) model: 5.25E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.4977 E-12 cm3/molecule-sec Half-Life = 0.856 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.270 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00771 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -1.22 (estimated) Volatilization from Water: Henry LC: 5.51E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.165E+005 hours (4852 days) Half-Life from Model Lake : 1.271E+006 hours (5.294E+004 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.184 20.5 1000 Water 34.9 208 1000 Soil 64.8 416 1000 Sediment 0.0604 1.87e+003 0 Persistence Time: 374 hr
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