Try beta.chemspider
Tetramethyl 1,1,10,10-decanetetracarboxylate
COC(=O)C(CCCCCCCCC(C(=O)OC)C(=O)OC)C(=O)OC
InChI=1S/C18H30O8/c1-23-15(19)13(16(20)24-2)11-9-7-5-6-8-10-12-14(17(21)25-3)18(22)26-4/h13-14H,5-12H2,1-4H3
GBFLOQKAWBCSPD-UHFFFAOYSA-N
CSID:2105392, http://www.chemspider.com/Chemical-Structure.2105392.html (accessed 22:13, Jun 15, 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) = 3.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 385.14 (Adapted Stein & Brown method) Melting Pt (deg C): 42.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.32E-005 (Modified Grain method) Subcooled liquid VP: 1.9E-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): 7.125 log Kow used: 3.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 30.712 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.03E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.128E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.27 (KowWin est) Log Kaw used: -8.907 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.177 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2660 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9326 (weeks ) Biowin4 (Primary Survey Model) : 4.2234 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.2688 Biowin6 (MITI Non-Linear Model): 0.9920 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0814 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): 0.00253 Pa (1.9E-005 mm Hg) Log Koa (Koawin est ): 12.177 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00118 Octanol/air (Koa) model: 0.369 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.041 Mackay model : 0.0865 Octanol/air (Koa) model: 0.967 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.6334 E-12 cm3/molecule-sec Half-Life = 0.847 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.160 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0638 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.072E+004 Log Koc: 4.610 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.851E-001 L/mol-sec Kb Half-Life at pH 8: 43.333 days Kb Half-Life at pH 7: 1.186 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.816 (BCF = 65.49) log Kow used: 3.27 (estimated) Volatilization from Water: Henry LC: 3.03E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.739E+007 hours (1.558E+006 days) Half-Life from Model Lake : 4.079E+008 hours (1.7E+007 days) Removal In Wastewater Treatment: Total removal: 8.76 percent Total biodegradation: 0.15 percent Total sludge adsorption: 8.62 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 0.000554 20.3 1000 Water 16.4 360 1000 Soil 83.1 720 1000 Sediment 0.46 3.24e+003 0 Persistence Time: 780 hr
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