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Diethyl (2-methoxyphenyl)phosphoramidate
CCOP(=O)(Nc1ccccc1OC)OCC
InChI=1S/C11H18NO4P/c1-4-15-17(13,16-5-2)12-10-8-6-7-9-11(10)14-3/h6-9H,4-5H2,1-3H3,(H,12,13)
RUQOEZYCLXOTNF-UHFFFAOYSA-N
CSID:282758, http://www.chemspider.com/Chemical-Structure.282758.html (accessed 00:41, Jul 5, 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) = 1.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 352.67 (Adapted Stein & Brown method) Melting Pt (deg C): 83.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.14E-005 (Modified Grain method) Subcooled liquid VP: 0.000114 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): 1771 log Kow used: 1.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7396.2 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 : 9.10E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.048E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.26 (KowWin est) Log Kaw used: -8.429 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.689 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7560 Biowin2 (Non-Linear Model) : 0.8286 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5682 (weeks-months) Biowin4 (Primary Survey Model) : 3.5508 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2691 Biowin6 (MITI Non-Linear Model): 0.0964 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4456 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): 0.0152 Pa (0.000114 mm Hg) Log Koa (Koawin est ): 9.689 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000197 Octanol/air (Koa) model: 0.0012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00708 Mackay model : 0.0155 Octanol/air (Koa) model: 0.0876 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 76.3576 E-12 cm3/molecule-sec Half-Life = 0.140 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.681 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0113 (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 = 0.268 (BCF = 1.855) log Kow used: 1.26 (estimated) Volatilization from Water: Henry LC: 9.1E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.036E+007 hours (4.316E+005 days) Half-Life from Model Lake : 1.13E+008 hours (4.709E+006 days) Removal In Wastewater Treatment: Total removal: 1.92 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.83 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 0.00112 3.36 1000 Water 37.2 900 1000 Soil 62.7 1.8e+003 1000 Sediment 0.0843 8.1e+003 0 Persistence Time: 1.11e+003 hr
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