N,N-Dipentyl-1-pentanamine
CCCCCN(CCCCC)CCCCC
InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3
OOHAUGDGCWURIT-UHFFFAOYSA-N
CSID:11635, http://www.chemspider.com/Chemical-Structure.11635.html (accessed 18:17, Nov 30, 2023)
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) = 5.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 276.63 (Adapted Stein & Brown method) Melting Pt (deg C): 32.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0331 (Modified Grain method) BP (exp database): 242.5 deg C Subcooled liquid VP: 0.0391 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): 2.75 log Kow used: 5.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.4533 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.09E-003 atm-m3/mole Group Method: 4.99E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.602E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.93 (KowWin est) Log Kaw used: -1.351 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.281 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7593 Biowin2 (Non-Linear Model) : 0.9564 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3368 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0388 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5449 Biowin6 (MITI Non-Linear Model): 0.5823 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1188 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.21 Pa (0.0391 mm Hg) Log Koa (Koawin est ): 7.281 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.75E-007 Octanol/air (Koa) model: 4.69E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.08E-005 Mackay model : 4.6E-005 Octanol/air (Koa) model: 0.000375 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 110.4787 E-12 cm3/molecule-sec Half-Life = 0.097 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.162 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.34E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.647E+004 Log Koc: 4.423 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 = 2.867 (BCF = 737) log Kow used: 5.93 (estimated) Volatilization from Water: Henry LC: 0.00499 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.716 hours Half-Life from Model Lake : 145.2 hours (6.049 days) Removal In Wastewater Treatment: Total removal: 92.61 percent Total biodegradation: 0.71 percent Total sludge adsorption: 87.92 percent Total to Air: 3.98 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.304 2.32 1000 Water 10.4 208 1000 Soil 46.6 416 1000 Sediment 42.6 1.87e+003 0 Persistence Time: 429 hr
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