Try beta.chemspider
N-(2-Furylmethyl)-N-[3-(2-furyl)-4-methylpentyl]acetamide
CC(C)C(CCN(Cc1ccco1)C(=O)C)c2ccco2
InChI=1S/C17H23NO3/c1-13(2)16(17-7-5-11-21-17)8-9-18(14(3)19)12-15-6-4-10-20-15/h4-7,10-11,13,16H,8-9,12H2,1-3H3
RENXDBQIYASEAE-UHFFFAOYSA-N
CSID:2953576, http://www.chemspider.com/Chemical-Structure.2953576.html (accessed 16:47, Apr 24, 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) = 3.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 376.52 (Adapted Stein & Brown method) Melting Pt (deg C): 130.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.69E-006 (Modified Grain method) Subcooled liquid VP: 3.07E-005 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): 5.664 log Kow used: 3.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 27.474 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.44E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.808E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.98 (KowWin est) Log Kaw used: -7.230 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.210 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8746 Biowin2 (Non-Linear Model) : 0.8973 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4306 (weeks-months) Biowin4 (Primary Survey Model) : 3.5671 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0111 Biowin6 (MITI Non-Linear Model): 0.0367 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7457 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): 0.00409 Pa (3.07E-005 mm Hg) Log Koa (Koawin est ): 11.210 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000733 Octanol/air (Koa) model: 0.0398 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0258 Mackay model : 0.0554 Octanol/air (Koa) model: 0.761 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 227.4317 E-12 cm3/molecule-sec Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.564 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0406 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.338E+004 Log Koc: 4.921 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 = 2.363 (BCF = 230.9) log Kow used: 3.98 (estimated) Volatilization from Water: Henry LC: 1.44E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.917E+005 hours (2.882E+004 days) Half-Life from Model Lake : 7.545E+006 hours (3.144E+005 days) Removal In Wastewater Treatment: Total removal: 29.16 percent Total biodegradation: 0.31 percent Total sludge adsorption: 28.84 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 0.00878 1.13 1000 Water 12.1 900 1000 Soil 85.2 1.8e+003 1000 Sediment 2.72 8.1e+003 0 Persistence Time: 1.67e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight