Try beta.chemspider
Cyclohexyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate
c1c2cc(c(=O)oc2c3c4c1CCCN4CCC3)C(=O)OC5CCCCC5
InChI=1S/C22H25NO4/c24-21(26-16-7-2-1-3-8-16)18-13-15-12-14-6-4-10-23-11-5-9-17(19(14)23)20(15)27-22(18)25/h12-13,16H,1-11H2
QRGVBGXSKFEOTR-UHFFFAOYSA-N
CSID:1388026, http://www.chemspider.com/Chemical-Structure.1388026.html (accessed 04:03, Apr 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) = 4.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 489.88 (Adapted Stein & Brown method) Melting Pt (deg C): 207.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.75E-010 (Modified Grain method) Subcooled liquid VP: 4.94E-008 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): 0.7876 log Kow used: 4.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.0696 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.94E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.539E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.43 (KowWin est) Log Kaw used: -8.437 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.867 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7699 Biowin2 (Non-Linear Model) : 0.9865 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3357 (weeks-months) Biowin4 (Primary Survey Model) : 3.4175 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3870 Biowin6 (MITI Non-Linear Model): 0.1420 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3465 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): 6.59E-006 Pa (4.94E-008 mm Hg) Log Koa (Koawin est ): 12.867 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.455 Octanol/air (Koa) model: 1.81 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.943 Mackay model : 0.973 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 48.8983 E-12 cm3/molecule-sec Half-Life = 0.219 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.625 Hrs 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): 0.958 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8295 Log Koc: 3.919 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 = 2.712 (BCF = 514.7) log Kow used: 4.43 (estimated) Volatilization from Water: Henry LC: 8.94E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.257E+007 hours (5.238E+005 days) Half-Life from Model Lake : 1.371E+008 hours (5.714E+006 days) Removal In Wastewater Treatment: Total removal: 52.30 percent Total biodegradation: 0.49 percent Total sludge adsorption: 51.80 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 0.0139 3.75 1000 Water 10.7 900 1000 Soil 82.4 1.8e+003 1000 Sediment 6.84 8.1e+003 0 Persistence Time: 1.85e+003 hr
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