Try beta.chemspider
2-Methyl-2-propanyl 2-(dimethoxyphosphoryl)-1-pyrrolidinecarboxylate
O=P(OC)(OC)C1N(C(=O)OC(C)(C)C)CCC1
InChI=1S/C11H22NO5P/c1-11(2,3)17-10(13)12-8-6-7-9(12)18(14,15-4)16-5/h9H,6-8H2,1-5H3
KWRZBSQIXCJUGL-UHFFFAOYSA-N
CSID:8977913, http://www.chemspider.com/Chemical-Structure.8977913.html (accessed 16:34, Jun 10, 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) = 1.11 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 336.34 (Adapted Stein & Brown method) Melting Pt (deg C): 78.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.53E-005 (Modified Grain method) Subcooled liquid VP: 0.000278 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): 1839 log Kow used: 1.11 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.418e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Esters (phosphate) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.88E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.704E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.11 (KowWin est) Log Kaw used: -9.619 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.729 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5102 Biowin2 (Non-Linear Model) : 0.1583 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3232 (weeks-months) Biowin4 (Primary Survey Model) : 3.4850 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0209 Biowin6 (MITI Non-Linear Model): 0.0173 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2166 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): 0.0371 Pa (0.000278 mm Hg) Log Koa (Koawin est ): 10.729 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.09E-005 Octanol/air (Koa) model: 0.0132 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00291 Mackay model : 0.00643 Octanol/air (Koa) model: 0.513 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.5546 E-12 cm3/molecule-sec Half-Life = 0.388 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.658 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00467 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2008 Log Koc: 3.303 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.075E-015 L/mol-sec Kb Half-Life at pH 8: 1.058E+013 years Kb Half-Life at pH 7: 1.058E+014 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.152 (BCF = 1.418) log Kow used: 1.11 (estimated) Volatilization from Water: Henry LC: 5.88E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.664E+008 hours (6.933E+006 days) Half-Life from Model Lake : 1.815E+009 hours (7.564E+007 days) Removal In Wastewater Treatment: Total removal: 1.90 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.81 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 7.48e-005 9.32 1000 Water 39.3 900 1000 Soil 60.6 1.8e+003 1000 Sediment 0.0851 8.1e+003 0 Persistence Time: 1.08e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight