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N-[2-(7-Methoxy-2-oxo-1,2-dihydro-3-quinolinyl)ethyl]cyclopropanecarboxamide
COc1ccc2cc(c(=O)[nH]c2c1)CCNC(=O)C3CC3
InChI=1S/C16H18N2O3/c1-21-13-5-4-11-8-12(16(20)18-14(11)9-13)6-7-17-15(19)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)
HLWFZOLBOOZRFS-UHFFFAOYSA-N
CSID:2493895, http://www.chemspider.com/Chemical-Structure.2493895.html (accessed 00:13, Jul 29, 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) = 1.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 523.91 (Adapted Stein & Brown method) Melting Pt (deg C): 223.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.05E-011 (Modified Grain method) Subcooled liquid VP: 6.78E-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): 514.1 log Kow used: 1.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 771.35 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.34E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.701E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.71 (KowWin est) Log Kaw used: -11.865 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.575 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1634 Biowin2 (Non-Linear Model) : 0.9986 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3999 (weeks-months) Biowin4 (Primary Survey Model) : 3.9226 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4908 Biowin6 (MITI Non-Linear Model): 0.2621 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7096 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): 9.04E-007 Pa (6.78E-009 mm Hg) Log Koa (Koawin est ): 13.575 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.32 Octanol/air (Koa) model: 9.23 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.992 Mackay model : 0.996 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 242.8268 E-12 cm3/molecule-sec Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.529 Hrs 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): 0.994 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 730.8 Log Koc: 2.864 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 = 0.614 (BCF = 4.112) log Kow used: 1.71 (estimated) Volatilization from Water: Henry LC: 3.34E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.966E+010 hours (1.236E+009 days) Half-Life from Model Lake : 3.236E+011 hours (1.348E+010 days) Removal In Wastewater Treatment: Total removal: 2.05 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.96 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 6.9e-005 0.693 1000 Water 28.7 900 1000 Soil 71.2 1.8e+003 1000 Sediment 0.0835 8.1e+003 0 Persistence Time: 1.28e+003 hr
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