Try beta.chemspider
N-Cyclopentyl-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetamide
Cc1cc(=O)oc2c1c(cc3c2CCC(O3)(C)C)OCC(=O)NC4CCCC4
InChI=1S/C22H27NO5/c1-13-10-19(25)27-21-15-8-9-22(2,3)28-16(15)11-17(20(13)21)26-12-18(24)23-14-6-4-5-7-14/h10-11,14H,4-9,12H2,1-3H3,(H,23,24)
WHIGBFQMDLGDGT-UHFFFAOYSA-N
CSID:4149038, http://www.chemspider.com/Chemical-Structure.4149038.html (accessed 13:43, Apr 23, 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) = 4.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 572.02 (Adapted Stein & Brown method) Melting Pt (deg C): 246.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.57E-012 (Modified Grain method) Subcooled liquid VP: 3.94E-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): 0.3266 log Kow used: 4.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.2051 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.40E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.438E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.76 (KowWin est) Log Kaw used: -11.242 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.002 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0829 Biowin2 (Non-Linear Model) : 0.9995 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0301 (months ) Biowin4 (Primary Survey Model) : 3.6583 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6143 Biowin6 (MITI Non-Linear Model): 0.3406 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6022 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): 5.25E-008 Pa (3.94E-010 mm Hg) Log Koa (Koawin est ): 16.002 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 57.1 Octanol/air (Koa) model: 2.47E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 257.7646 E-12 cm3/molecule-sec Half-Life = 0.041 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.877 Min Ozone Reaction: OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec Half-Life = 0.084 Days (at 7E11 mol/cm3) Half-Life = 2.015 Hrs 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 : 3008 Log Koc: 3.478 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 = 2.962 (BCF = 916.8) log Kow used: 4.76 (estimated) Volatilization from Water: Henry LC: 1.4E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.211E+009 hours (3.421E+008 days) Half-Life from Model Lake : 8.957E+010 hours (3.732E+009 days) Removal In Wastewater Treatment: Total removal: 68.67 percent Total biodegradation: 0.61 percent Total sludge adsorption: 68.06 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 0.00191 0.667 1000 Water 7.41 1.44e+003 1000 Soil 79.3 2.88e+003 1000 Sediment 13.3 1.3e+004 0 Persistence Time: 3.03e+003 hr
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