Try beta.chemspider
3-(3,5-Dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(9-ethyl-9H-carbazol-3-yl)propanamide
CCn1c2ccccc2c3c1ccc(c3)NC(=O)CCc4c(c5cc6c(coc6cc5oc4=O)C)C
InChI=1S/C30H26N2O4/c1-4-32-25-8-6-5-7-21(25)24-13-19(9-11-26(24)32)31-29(33)12-10-20-18(3)23-14-22-17(2)16-35-27(22)15-28(23)36-30(20)34/h5-9,11,13-16H,4,10,12H2,1-3H3,(H,31,33)
JJTPNIRULJYQNM-UHFFFAOYSA-N
CSID:1408913, http://www.chemspider.com/Chemical-Structure.1408913.html (accessed 22:09, Jul 5, 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) = 6.80 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 723.50 (Adapted Stein & Brown method) Melting Pt (deg C): 317.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.02E-017 (Modified Grain method) Subcooled liquid VP: 3.9E-014 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): 0.0001199 log Kow used: 6.80 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00034714 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.77E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.061E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.80 (KowWin est) Log Kaw used: -13.812 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.612 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7535 Biowin2 (Non-Linear Model) : 0.7922 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8980 (months ) Biowin4 (Primary Survey Model) : 3.2352 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0533 Biowin6 (MITI Non-Linear Model): 0.0026 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.0420 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): 5.2E-012 Pa (3.9E-014 mm Hg) Log Koa (Koawin est ): 20.612 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.77E+005 Octanol/air (Koa) model: 1E+008 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 = 266.1985 E-12 cm3/molecule-sec Half-Life = 0.040 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.930 Min Ozone Reaction: OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 18.599 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 : 7.5E+006 Log Koc: 6.875 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 = 4.532 (BCF = 3.408e+004) log Kow used: 6.80 (estimated) Volatilization from Water: Henry LC: 3.77E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.397E+012 hours (1.416E+011 days) Half-Life from Model Lake : 3.706E+013 hours (1.544E+012 days) Removal In Wastewater Treatment: Total removal: 93.73 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.96 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 0.00236 0.235 1000 Water 1.67 1.44e+003 1000 Soil 31.7 2.88e+003 1000 Sediment 66.6 1.3e+004 0 Persistence Time: 4.55e+003 hr
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