Try beta.chemspider
- Double-bond stereo
(1E,4E)-N-(2-Furylmethyl)-2,2,5,9-tetramethyl-4,8-decadien-1-imine
CC(=CCC/C(=C/CC(C)(C)/C=N/Cc1ccco1)/C)C
InChI=1S/C19H29NO/c1-16(2)8-6-9-17(3)11-12-19(4,5)15-20-14-18-10-7-13-21-18/h7-8,10-11,13,15H,6,9,12,14H2,1-5H3/b17-11+,20-15+
WKGOUNNKZNDGNS-IXKPFFITSA-N
CSID:4682594, http://www.chemspider.com/Chemical-Structure.4682594.html (accessed 10:08, May 19, 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) = 7.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 346.41 (Adapted Stein & Brown method) Melting Pt (deg C): 58.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.87E-005 (Modified Grain method) Subcooled liquid VP: 0.000161 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): 0.01451 log Kow used: 7.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.016154 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.68E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.051E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.03 (KowWin est) Log Kaw used: -0.163 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.193 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4268 Biowin2 (Non-Linear Model) : 0.0575 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3518 (weeks-months) Biowin4 (Primary Survey Model) : 3.2796 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0056 Biowin6 (MITI Non-Linear Model): 0.0220 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4246 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): 0.0215 Pa (0.000161 mm Hg) Log Koa (Koawin est ): 7.193 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00014 Octanol/air (Koa) model: 3.83E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00502 Mackay model : 0.0111 Octanol/air (Koa) model: 0.000306 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 281.9456 E-12 cm3/molecule-sec Half-Life = 0.038 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 27.314 Min Ozone Reaction: OVERALL Ozone Rate Constant = 86.000000 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 19.189 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00804 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.61E+005 Log Koc: 5.881 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 = 4.774 (BCF = 5.948e+004) log Kow used: 7.03 (estimated) Volatilization from Water: Henry LC: 0.0168 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.789 hours Half-Life from Model Lake : 161.7 hours (6.737 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.76 percent Total sludge adsorption: 92.13 percent Total to Air: 1.14 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00415 0.237 1000 Water 2.11 900 1000 Soil 29.9 1.8e+003 1000 Sediment 68 8.1e+003 0 Persistence Time: 2.89e+003 hr
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