Try beta.chemspider
4,4'-{[5-(Diethylamino)-2-pentanyl]carbonimidoyl}bis(N,N-dimethylaniline)
CCN(CC)CCCC(C)N=C(c1ccc(cc1)N(C)C)c2ccc(cc2)N(C)C
InChI=1S/C26H40N4/c1-8-30(9-2)20-10-11-21(3)27-26(22-12-16-24(17-13-22)28(4)5)23-14-18-25(19-15-23)29(6)7/h12-19,21H,8-11,20H2,1-7H3
SUCOCPDCSROQDL-UHFFFAOYSA-N
CSID:190898, http://www.chemspider.com/Chemical-Structure.190898.html (accessed 06:58, May 6, 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) = 6.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 473.56 (Adapted Stein & Brown method) Melting Pt (deg C): 180.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.02E-009 (Modified Grain method) Subcooled liquid VP: 1.27E-007 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): 0.01346 log Kow used: 6.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.016516 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.17E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.206E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.21 (KowWin est) Log Kaw used: -9.052 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.262 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0628 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5317 (recalcitrant) Biowin4 (Primary Survey Model) : 2.3942 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4930 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -3.7448 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): 1.69E-005 Pa (1.27E-007 mm Hg) Log Koa (Koawin est ): 15.262 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.177 Octanol/air (Koa) model: 449 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.865 Mackay model : 0.934 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 304.8298 E-12 cm3/molecule-sec Half-Life = 0.035 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.264 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.899 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.046E+006 Log Koc: 6.607 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 = 4.082 (BCF = 1.207e+004) log Kow used: 6.21 (estimated) Volatilization from Water: Henry LC: 2.17E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.454E+007 hours (2.273E+006 days) Half-Life from Model Lake : 5.95E+008 hours (2.479E+007 days) Removal In Wastewater Treatment: Total removal: 92.87 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.10 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 0.000198 0.842 1000 Water 1.01 4.32e+003 1000 Soil 57.3 8.64e+003 1000 Sediment 41.7 3.89e+004 0 Persistence Time: 1.33e+004 hr
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