1,2,3-Propanetriyl triformate
C(C(COC=O)OC=O)OC=O
InChI=1S/C6H8O6/c7-3-10-1-6(12-5-9)2-11-4-8/h3-6H,1-2H2
UFTFJSFQGQCHQW-UHFFFAOYSA-N
CSID:4573731, http://www.chemspider.com/Chemical-Structure.4573731.html (accessed 06:04, 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) = -1.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 185.53 (Adapted Stein & Brown method) Melting Pt (deg C): -45.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.737 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7.109e+005 log Kow used: -1.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.1661e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.49E-009 atm-m3/mole Group Method: 2.68E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.403E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.28 (KowWin est) Log Kaw used: -6.736 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.456 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1862 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2306 (weeks ) Biowin4 (Primary Survey Model) : 4.2805 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.2675 Biowin6 (MITI Non-Linear Model): 0.9961 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.2378 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): 89.5 Pa (0.671 mm Hg) Log Koa (Koawin est ): 5.456 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.35E-008 Octanol/air (Koa) model: 7.01E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.21E-006 Mackay model : 2.68E-006 Octanol/air (Koa) model: 5.61E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.3723 E-12 cm3/molecule-sec Half-Life = 1.278 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.331 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.95E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 13.01 Log Koc: 1.114 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 7.573E+001 L/mol-sec Kb Half-Life at pH 8: 2.542 hours Kb Half-Life at pH 7: 1.059 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -1.28 (estimated) Volatilization from Water: Henry LC: 2.68E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.899E+006 hours (1.208E+005 days) Half-Life from Model Lake : 3.163E+007 hours (1.318E+006 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 0.0063 30.7 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0714 3.24e+003 0 Persistence Time: 578 hr
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