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2-[Cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethyl-1,3-propanediamine
CCN(CC)CC(CN(CC)CC)C(c1ccccc1)C2CCCCC2
InChI=1S/C24H42N2/c1-5-25(6-2)19-23(20-26(7-3)8-4)24(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9,11-12,15-16,22-24H,5-8,10,13-14,17-20H2,1-4H3
QDMORDTWFMWOFA-UHFFFAOYSA-N
CSID:2295996, http://www.chemspider.com/Chemical-Structure.2295996.html (accessed 00:40, 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) = 7.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 409.10 (Adapted Stein & Brown method) Melting Pt (deg C): 140.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.4E-007 (Modified Grain method) Subcooled liquid VP: 4.99E-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): 0.05842 log Kow used: 7.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.58382 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.56E-008 atm-m3/mole Group Method: 6.29E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.746E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.00 (KowWin est) Log Kaw used: -5.980 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.980 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3491 Biowin2 (Non-Linear Model) : 0.0155 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8442 (months ) Biowin4 (Primary Survey Model) : 2.6907 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1345 Biowin6 (MITI Non-Linear Model): 0.0065 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.5428 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): 0.000665 Pa (4.99E-006 mm Hg) Log Koa (Koawin est ): 12.980 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00451 Octanol/air (Koa) model: 2.34 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.14 Mackay model : 0.265 Octanol/air (Koa) model: 0.995 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 210.6284 E-12 cm3/molecule-sec Half-Life = 0.051 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.609 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.203 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.421E+006 Log Koc: 6.646 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 = 4.805 (BCF = 6.378e+004) log Kow used: 7.00 (estimated) Volatilization from Water: Henry LC: 6.29E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.763E+005 hours (7345 days) Half-Life from Model Lake : 1.923E+006 hours (8.013E+004 days) Removal In Wastewater Treatment: Total removal: 93.84 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.07 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 0.00713 1.22 1000 Water 1.46 1.44e+003 1000 Soil 36 2.88e+003 1000 Sediment 62.6 1.3e+004 0 Persistence Time: 5.12e+003 hr
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