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Phenyl [(phenoxycarbonyl)oxy]carbamate
O=C(Oc1ccccc1)ONC(=O)Oc2ccccc2
InChI=1S/C14H11NO5/c16-13(18-11-7-3-1-4-8-11)15-20-14(17)19-12-9-5-2-6-10-12/h1-10H,(H,15,16)
PTZVLZBVOIUMCH-UHFFFAOYSA-N
CSID:8282855, http://www.chemspider.com/Chemical-Structure.8282855.html (accessed 01:47, Jul 30, 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) = 1.53 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 388.91 (Adapted Stein & Brown method) Melting Pt (deg C): 100.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.82E-006 (Modified Grain method) Subcooled liquid VP: 1.54E-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): 857.1 log Kow used: 1.53 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 352.15 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.50E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.183E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.53 (KowWin est) Log Kaw used: -6.991 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.521 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8736 Biowin2 (Non-Linear Model) : 0.9386 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6394 (weeks-months) Biowin4 (Primary Survey Model) : 3.4633 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0186 Biowin6 (MITI Non-Linear Model): 0.0153 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3181 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): 0.00205 Pa (1.54E-005 mm Hg) Log Koa (Koawin est ): 8.521 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00146 Octanol/air (Koa) model: 8.15E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0501 Mackay model : 0.105 Octanol/air (Koa) model: 0.00648 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.7219 E-12 cm3/molecule-sec Half-Life = 1.591 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 19.095 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0774 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 396.9 Log Koc: 2.599 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.616E+006 L/mol-sec Kb Half-Life at pH 8: 0.192 seconds Kb Half-Life at pH 7: 1.917 seconds Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.481 (BCF = 3.03) log Kow used: 1.53 (estimated) Volatilization from Water: Henry LC: 2.5E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.871E+005 hours (1.613E+004 days) Half-Life from Model Lake : 4.223E+006 hours (1.76E+005 days) Removal In Wastewater Treatment: Total removal: 1.98 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.89 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 0.0296 38.2 1000 Water 32.5 900 1000 Soil 67.4 1.8e+003 1000 Sediment 0.0834 8.1e+003 0 Persistence Time: 1.19e+003 hr
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