2-O-Methylpentofuranose
COC1C(C(OC1O)CO)O
InChI=1S/C6H12O5/c1-10-5-4(8)3(2-7)11-6(5)9/h3-9H,2H2,1H3
STGXGJRRAJKJRG-UHFFFAOYSA-N
CSID:486947, http://www.chemspider.com/Chemical-Structure.486947.html (accessed 19:35, Apr 18, 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) = -0.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 312.69 (Adapted Stein & Brown method) Melting Pt (deg C): 83.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.54E-006 (Modified Grain method) Subcooled liquid VP: 1.66E-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): 2.304e+005 log Kow used: -0.64 (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 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.41E-014 atm-m3/mole Group Method: 8.29E-020 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.256E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.64 (KowWin est) Log Kaw used: -11.582 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.942 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4509 Biowin2 (Non-Linear Model) : 0.0558 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2990 (days-weeks ) Biowin4 (Primary Survey Model) : 3.9798 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8097 Biowin6 (MITI Non-Linear Model): 0.6262 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8241 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): 0.00221 Pa (1.66E-005 mm Hg) Log Koa (Koawin est ): 10.942 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00136 Octanol/air (Koa) model: 0.0215 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0467 Mackay model : 0.0978 Octanol/air (Koa) model: 0.632 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 67.3667 E-12 cm3/molecule-sec Half-Life = 0.159 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.905 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0722 (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: -0.64 (estimated) Volatilization from Water: Henry LC: 6.41E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.17E+010 hours (4.876E+008 days) Half-Life from Model Lake : 1.277E+011 hours (5.319E+009 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 2.37e-006 3.81 1000 Water 34.4 208 1000 Soil 65.6 416 1000 Sediment 0.0596 1.87e+003 0 Persistence Time: 388 hr
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