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N,N-Dicyclohexyl-N~2~,N~2~-diethylglycinamide
CCN(CC)CC(=O)N(C1CCCCC1)C2CCCCC2
InChI=1S/C18H34N2O/c1-3-19(4-2)15-18(21)20(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h16-17H,3-15H2,1-2H3
QAUDLDRYBDIOMF-UHFFFAOYSA-N
CSID:673438, http://www.chemspider.com/Chemical-Structure.673438.html (accessed 21:33, Jun 5, 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) = 4.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 388.54 (Adapted Stein & Brown method) Melting Pt (deg C): 135.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.21E-006 (Modified Grain method) Subcooled liquid VP: 1.58E-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): 1.434 log Kow used: 4.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 609.97 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.11E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.269E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.64 (KowWin est) Log Kaw used: -6.896 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.536 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6122 Biowin2 (Non-Linear Model) : 0.3308 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2394 (months ) Biowin4 (Primary Survey Model) : 3.3403 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2491 Biowin6 (MITI Non-Linear Model): 0.0761 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.0091 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): 0.00211 Pa (1.58E-005 mm Hg) Log Koa (Koawin est ): 11.536 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00142 Octanol/air (Koa) model: 0.0843 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0489 Mackay model : 0.102 Octanol/air (Koa) model: 0.871 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 143.4193 E-12 cm3/molecule-sec Half-Life = 0.075 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.895 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0756 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1777 Log Koc: 3.250 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 = 2.875 (BCF = 749.4) log Kow used: 4.64 (estimated) Volatilization from Water: Henry LC: 3.11E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.231E+005 hours (1.346E+004 days) Half-Life from Model Lake : 3.524E+006 hours (1.469E+005 days) Removal In Wastewater Treatment: Total removal: 63.14 percent Total biodegradation: 0.57 percent Total sludge adsorption: 62.57 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 0.0107 1.79 1000 Water 8.27 1.44e+003 1000 Soil 80.4 2.88e+003 1000 Sediment 11.3 1.3e+004 0 Persistence Time: 2.73e+003 hr
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