Try beta.chemspider
3,3'-(1,2-Ethanediyl)bis(4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one)
CC1(C(N(C(=O)O1)CCN2C(=O)OC(C2(C)O)(C)C)(C)O)C
InChI=1S/C14H24N2O6/c1-11(2)13(5,19)15(9(17)21-11)7-8-16-10(18)22-12(3,4)14(16,6)20/h19-20H,7-8H2,1-6H3
MVHAFMJBIFNSGD-UHFFFAOYSA-N
CSID:2810290, http://www.chemspider.com/Chemical-Structure.2810290.html (accessed 07:13, Jun 17, 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) = 1.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 475.29 (Adapted Stein & Brown method) Melting Pt (deg C): 201.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.02E-012 (Modified Grain method) Subcooled liquid VP: 3.62E-010 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): 464.5 log Kow used: 1.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 28781 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.89E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.499E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.55 (KowWin est) Log Kaw used: -10.618 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.168 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0203 Biowin2 (Non-Linear Model) : 0.0017 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5582 (recalcitrant) Biowin4 (Primary Survey Model) : 3.1648 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0558 Biowin6 (MITI Non-Linear Model): 0.0392 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9263 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): 4.83E-008 Pa (3.62E-010 mm Hg) Log Koa (Koawin est ): 12.168 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 62.2 Octanol/air (Koa) model: 0.361 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.967 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.6150 E-12 cm3/molecule-sec Half-Life = 0.435 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.214 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (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 = 0.496 (BCF = 3.131) log Kow used: 1.55 (estimated) Volatilization from Water: Henry LC: 5.89E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.768E+009 hours (7.367E+007 days) Half-Life from Model Lake : 1.929E+010 hours (8.036E+008 days) Removal In Wastewater Treatment: Total removal: 1.99 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.90 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 0.0116 10.4 1000 Water 36.2 4.32e+003 1000 Soil 63.7 8.64e+003 1000 Sediment 0.0976 3.89e+004 0 Persistence Time: 2.08e+003 hr
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