Try beta.chemspider
1,5-Di-O-acetyl-2,3,4,6-tetra-O-methylhexitol
CC(=O)OCC(C(C(C(COC)OC(=O)C)OC)OC)OC
InChI=1S/C14H26O8/c1-9(15)21-8-11(18-4)13(19-5)14(20-6)12(7-17-3)22-10(2)16/h11-14H,7-8H2,1-6H3
OVCJDQPBVXUBBF-UHFFFAOYSA-N
CSID:469143, http://www.chemspider.com/Chemical-Structure.469143.html (accessed 00:26, Apr 24, 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) = -0.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 318.57 (Adapted Stein & Brown method) Melting Pt (deg C): 15.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000724 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.314e+004 log Kow used: -0.99 (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: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.23E-014 atm-m3/mole Group Method: 1.12E-017 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.864E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.99 (KowWin est) Log Kaw used: -11.879 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.889 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.4470 Biowin2 (Non-Linear Model) : 0.0008 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7325 (weeks-months) Biowin4 (Primary Survey Model) : 3.8016 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3451 Biowin6 (MITI Non-Linear Model): 0.1493 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9381 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0965 Pa (0.000724 mm Hg) Log Koa (Koawin est ): 10.889 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.11E-005 Octanol/air (Koa) model: 0.019 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00112 Mackay model : 0.00248 Octanol/air (Koa) model: 0.603 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 70.6557 E-12 cm3/molecule-sec Half-Life = 0.151 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.817 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0018 (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]: Total Kb for pH > 8 at 25 deg C : 3.540E-001 L/mol-sec Kb Half-Life at pH 8: 22.659 days Kb Half-Life at pH 7: 226.589 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.99 (estimated) Volatilization from Water: Henry LC: 1.12E-017 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 9.386E+013 hours (3.911E+012 days) Half-Life from Model Lake : 1.024E+015 hours (4.266E+013 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 1.57e-010 3.63 1000 Water 46.4 900 1000 Soil 53.5 1.8e+003 1000 Sediment 0.0891 8.1e+003 0 Persistence Time: 973 hr
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