Try beta.chemspider
2-Methyl-2-propanyl (4-{[5-methoxy-7-(methoxymethoxy)-2,2-dimethyl-2H-chromen-6-yl]carbonyl}-3-pyridinyl)carbamate
O=C(OC(C)(C)C)Nc1cnccc1C(=O)c2c(OCOC)cc3OC(/C=C\c3c2OC)(C)C
InChI=1S/C25H30N2O7/c1-24(2,3)34-23(29)27-17-13-26-11-9-15(17)21(28)20-19(32-14-30-6)12-18-16(22(20)31-7)8-10-25(4,5)33-18/h8-13H,14H2,1-7H3,(H,27,29)
JCRYDMITJRQJRM-UHFFFAOYSA-N
CSID:9538323, http://www.chemspider.com/Chemical-Structure.9538323.html (accessed 00:01, Jun 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) = 5.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 546.79 (Adapted Stein & Brown method) Melting Pt (deg C): 234.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.74E-012 (Modified Grain method) Subcooled liquid VP: 1.76E-009 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): 0.02423 log Kow used: 5.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.7338 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.75E-020 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.489E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.46 (KowWin est) Log Kaw used: -17.949 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 23.409 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1359 Biowin2 (Non-Linear Model) : 0.0075 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.2687 (recalcitrant) Biowin4 (Primary Survey Model) : 3.2363 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1730 Biowin6 (MITI Non-Linear Model): 0.0109 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3662 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): 2.35E-007 Pa (1.76E-009 mm Hg) Log Koa (Koawin est ): 23.409 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 12.8 Octanol/air (Koa) model: 6.3E+010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 262.9315 E-12 cm3/molecule-sec Half-Life = 0.041 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.289 Min Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 0.998 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3207 Log Koc: 3.506 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.616E-004 L/mol-sec Kb Half-Life at pH 8: 83.944 years Kb Half-Life at pH 7: 839.445 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.661 (BCF = 457.6) log Kow used: 5.46 (estimated) Volatilization from Water: Henry LC: 2.75E-020 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.618E+016 hours (1.924E+015 days) Half-Life from Model Lake : 5.038E+017 hours (2.099E+016 days) Removal In Wastewater Treatment: Total removal: 87.76 percent Total biodegradation: 0.74 percent Total sludge adsorption: 87.01 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 2.69e-011 0.909 1000 Water 2.05 4.32e+003 1000 Soil 71.9 8.64e+003 1000 Sediment 26.1 3.89e+004 0 Persistence Time: 1.1e+004 hr
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