Try beta.chemspider
1,2,3,4-Tetra-O-acetyl-5-O-methylpentitol
CC(=O)OCC(C(C(COC)OC(=O)C)OC(=O)C)OC(=O)C
InChI=1S/C14H22O9/c1-8(15)20-7-13(22-10(3)17)14(23-11(4)18)12(6-19-5)21-9(2)16/h12-14H,6-7H2,1-5H3
HTORXZMGOFQUDV-UHFFFAOYSA-N
CSID:468243, http://www.chemspider.com/Chemical-Structure.468243.html (accessed 19:14, May 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) = -0.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 343.72 (Adapted Stein & Brown method) Melting Pt (deg C): 6.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000186 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8111 log Kow used: -0.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.2162e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.60E-014 atm-m3/mole Group Method: 1.65E-016 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.009E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.03 (KowWin est) Log Kaw used: -11.454 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.424 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9377 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0125 (weeks ) Biowin4 (Primary Survey Model) : 4.2715 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0428 Biowin6 (MITI Non-Linear Model): 0.9611 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4228 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): 0.0248 Pa (0.000186 mm Hg) Log Koa (Koawin est ): 11.424 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000121 Octanol/air (Koa) model: 0.0652 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00435 Mackay model : 0.00958 Octanol/air (Koa) model: 0.839 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.9323 E-12 cm3/molecule-sec Half-Life = 0.447 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.363 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00697 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 258.8 Log Koc: 2.413 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.357E-001 L/mol-sec Kb Half-Life at pH 8: 14.975 days Kb Half-Life at pH 7: 149.753 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.03 (estimated) Volatilization from Water: Henry LC: 1.65E-016 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.488E+012 hours (2.703E+011 days) Half-Life from Model Lake : 7.078E+013 hours (2.949E+012 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 3.89e-009 10.7 1000 Water 38.5 360 1000 Soil 61.4 720 1000 Sediment 0.0711 3.24e+003 0 Persistence Time: 582 hr
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