Try beta.chemspider
2,3,4,4-Tetrahydroxypentanoic acid
CC(C(C(C(=O)O)O)O)(O)O
InChI=1S/C5H10O6/c1-5(10,11)3(7)2(6)4(8)9/h2-3,6-7,10-11H,1H3,(H,8,9)
SVOKVRSZODOKPN-UHFFFAOYSA-N
CSID:4446066, http://www.chemspider.com/Chemical-Structure.4446066.html (accessed 22:16, Apr 23, 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) = 0.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 353.59 (Adapted Stein & Brown method) Melting Pt (deg C): 131.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.89E-008 (Modified Grain method) Subcooled liquid VP: 9.31E-007 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): 5.297e+004 log Kow used: 0.56 (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 : 9.77E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.256E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.56 (KowWin est) Log Kaw used: -9.399 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.959 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8747 Biowin2 (Non-Linear Model) : 0.8588 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3045 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0991 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6880 Biowin6 (MITI Non-Linear Model): 0.7486 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5429 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): 0.000124 Pa (9.31E-007 mm Hg) Log Koa (Koawin est ): 9.959 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0242 Octanol/air (Koa) model: 0.00223 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.466 Mackay model : 0.659 Octanol/air (Koa) model: 0.152 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 39.5970 E-12 cm3/molecule-sec Half-Life = 0.270 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.241 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.563 (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]: 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: 0.56 (estimated) Volatilization from Water: Henry LC: 9.77E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.724E+007 hours (3.218E+006 days) Half-Life from Model Lake : 8.426E+008 hours (3.511E+007 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 0.000678 6.48 1000 Water 33.1 208 1000 Soil 66.9 416 1000 Sediment 0.0591 1.87e+003 0 Persistence Time: 393 hr
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