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N-[3-(Dibutylamino)propyl]-2-propylpentanamide
CCCCN(CCCC)CCCNC(=O)C(CCC)CCC
InChI=1S/C19H40N2O/c1-5-9-15-21(16-10-6-2)17-11-14-20-19(22)18(12-7-3)13-8-4/h18H,5-17H2,1-4H3,(H,20,22)
QKQHOPPKOWXBRS-UHFFFAOYSA-N
CSID:183093, http://www.chemspider.com/Chemical-Structure.183093.html (accessed 08:48, Apr 28, 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) = 5.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 423.33 (Adapted Stein & Brown method) Melting Pt (deg C): 159.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.43E-008 (Modified Grain method) Subcooled liquid VP: 2.24E-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): 0.3015 log Kow used: 5.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.4073 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.43E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.286E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.31 (KowWin est) Log Kaw used: -7.580 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.890 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8205 Biowin2 (Non-Linear Model) : 0.9386 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7962 (weeks ) Biowin4 (Primary Survey Model) : 3.8524 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4175 Biowin6 (MITI Non-Linear Model): 0.2912 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5884 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): 0.000299 Pa (2.24E-006 mm Hg) Log Koa (Koawin est ): 12.890 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.01 Octanol/air (Koa) model: 1.91 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.266 Mackay model : 0.446 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 128.9278 E-12 cm3/molecule-sec Half-Life = 0.083 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.996 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.356 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.971E+004 Log Koc: 4.999 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 = 2.390 (BCF = 245.5) log Kow used: 5.31 (estimated) Volatilization from Water: Henry LC: 6.43E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.61E+006 hours (6.707E+004 days) Half-Life from Model Lake : 1.756E+007 hours (7.317E+005 days) Removal In Wastewater Treatment: Total removal: 85.36 percent Total biodegradation: 0.73 percent Total sludge adsorption: 84.63 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 0.0116 1.99 1000 Water 11 360 1000 Soil 64.9 720 1000 Sediment 24.1 3.24e+003 0 Persistence Time: 957 hr
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