Try beta.chemspider
2-[(4-Methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]-N-[3-(4-morpholinyl)propyl]propanamide
Cc1c(ccc2c1oc(=O)c3c2CCCC3)OC(C)C(=O)NCCCN4CCOCC4
InChI=1S/C24H32N2O5/c1-16-21(9-8-19-18-6-3-4-7-20(18)24(28)31-22(16)19)30-17(2)23(27)25-10-5-11-26-12-14-29-15-13-26/h8-9,17H,3-7,10-15H2,1-2H3,(H,25,27)
AZOVYCDVNXOSLN-UHFFFAOYSA-N
CSID:4093990, http://www.chemspider.com/Chemical-Structure.4093990.html (accessed 20:36, May 15, 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) = 2.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 614.72 (Adapted Stein & Brown method) Melting Pt (deg C): 266.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.87E-014 (Modified Grain method) Subcooled liquid VP: 3.04E-011 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): 6.26 log Kow used: 2.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 627.15 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.62E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.188E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.94 (KowWin est) Log Kaw used: -15.179 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.119 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5618 Biowin2 (Non-Linear Model) : 0.7042 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9417 (months ) Biowin4 (Primary Survey Model) : 3.3747 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3332 Biowin6 (MITI Non-Linear Model): 0.0766 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.4042 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): 4.05E-009 Pa (3.04E-011 mm Hg) Log Koa (Koawin est ): 18.119 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 740 Octanol/air (Koa) model: 3.23E+005 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 = 313.3518 E-12 cm3/molecule-sec Half-Life = 0.034 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 24.577 Min Ozone Reaction: OVERALL Ozone Rate Constant = 1064.699951 E-17 cm3/molecule-sec Half-Life = 0.001 Days (at 7E11 mol/cm3) Half-Life = 1.550 Min 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 : 8313 Log Koc: 3.920 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 = 1.565 (BCF = 36.7) log Kow used: 2.94 (estimated) Volatilization from Water: Henry LC: 1.62E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.482E+013 hours (3.117E+012 days) Half-Life from Model Lake : 8.162E+014 hours (3.401E+013 days) Removal In Wastewater Treatment: Total removal: 5.21 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.09 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 4.47e-006 0.025 1000 Water 11 1.44e+003 1000 Soil 88.7 2.88e+003 1000 Sediment 0.24 1.3e+004 0 Persistence Time: 2.64e+003 hr
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