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N,N-Diethyl-1-propanamine
CCCN(CC)CC
InChI=1S/C7H17N/c1-4-7-8(5-2)6-3/h4-7H2,1-3H3
PQZTVWVYCLIIJY-UHFFFAOYSA-N
CSID:70582, http://www.chemspider.com/Chemical-Structure.70582.html (accessed 08:34, Nov 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) = 2.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 119.22 (Adapted Stein & Brown method) Melting Pt (deg C): -58.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 16.2 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.071e+004 log Kow used: 2.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14561 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.13E-004 atm-m3/mole Group Method: 3.15E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.186E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.00 (KowWin est) Log Kaw used: -2.335 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.335 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4874 Biowin2 (Non-Linear Model) : 0.2994 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6897 (weeks-months) Biowin4 (Primary Survey Model) : 3.3935 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4834 Biowin6 (MITI Non-Linear Model): 0.5339 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3735 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): 2.01E+003 Pa (15.1 mm Hg) Log Koa (Koawin est ): 4.335 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.49E-009 Octanol/air (Koa) model: 5.31E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.38E-008 Mackay model : 1.19E-007 Octanol/air (Koa) model: 4.25E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 95.7071 E-12 cm3/molecule-sec Half-Life = 0.112 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.341 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.65E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 197.7 Log Koc: 2.296 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 = 0.842 (BCF = 6.955) log Kow used: 2.00 (estimated) Volatilization from Water: Henry LC: 0.000315 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.09 hours Half-Life from Model Lake : 123.7 hours (5.155 days) Removal In Wastewater Treatment: Total removal: 14.67 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.93 percent Total to Air: 12.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.812 2.68 1000 Water 36 900 1000 Soil 63.1 1.8e+003 1000 Sediment 0.139 8.1e+003 0 Persistence Time: 327 hr
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