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N-[2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethyl]propanamide
CCC(=O)NCCC1CCC2=C1C3=C(C=C2)OCC3
InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)
YLXDSYKOBKBWJQ-UHFFFAOYSA-N
CSID:8057302, http://www.chemspider.com/Chemical-Structure.8057302.html (accessed 01:58, Apr 27, 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) = 3.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 415.40 (Adapted Stein & Brown method) Melting Pt (deg C): 171.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.07E-007 (Modified Grain method) Subcooled liquid VP: 3.5E-006 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): 34.6 log Kow used: 3.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 722.74 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.54E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.055E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.26 (KowWin est) Log Kaw used: -6.839 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.099 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4869 Biowin2 (Non-Linear Model) : 0.1959 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5632 (weeks-months) Biowin4 (Primary Survey Model) : 3.6692 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3211 Biowin6 (MITI Non-Linear Model): 0.1191 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5783 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): 0.000467 Pa (3.5E-006 mm Hg) Log Koa (Koawin est ): 10.099 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00643 Octanol/air (Koa) model: 0.00308 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.188 Mackay model : 0.34 Octanol/air (Koa) model: 0.198 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 346.6293 E-12 cm3/molecule-sec Half-Life = 0.031 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.217 Min Ozone Reaction: OVERALL Ozone Rate Constant = 33.718750 E-17 cm3/molecule-sec Half-Life = 0.034 Days (at 7E11 mol/cm3) Half-Life = 48.941 Min Fraction sorbed to airborne particulates (phi): 0.264 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1404 Log Koc: 3.147 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 = 1.809 (BCF = 64.42) log Kow used: 3.26 (estimated) Volatilization from Water: Henry LC: 3.54E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.664E+005 hours (1.11E+004 days) Half-Life from Model Lake : 2.906E+006 hours (1.211E+005 days) Removal In Wastewater Treatment: Total removal: 8.62 percent Total biodegradation: 0.15 percent Total sludge adsorption: 8.47 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 0.0117 0.388 1000 Water 16.4 900 1000 Soil 82.9 1.8e+003 1000 Sediment 0.677 8.1e+003 0 Persistence Time: 1.22e+003 hr
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