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N,N-Dipropylaniline
CCCN(CCC)c1ccccc1
InChI=1S/C12H19N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
MMFBQHXDINNBMW-UHFFFAOYSA-N
CSID:67737, http://www.chemspider.com/Chemical-Structure.67737.html (accessed 02:33, Apr 25, 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) = 4.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 247.18 (Adapted Stein & Brown method) Melting Pt (deg C): 20.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0417 (Mean VP of Antoine & Grain methods) BP (exp database): 242 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 16.7 log Kow used: 4.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 57.93 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.66E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.825E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.14 (KowWin est) Log Kaw used: -1.964 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.104 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5860 Biowin2 (Non-Linear Model) : 0.5168 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5746 (weeks-months) Biowin4 (Primary Survey Model) : 3.3088 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3394 Biowin6 (MITI Non-Linear Model): 0.2545 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5529 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): 5.35 Pa (0.0401 mm Hg) Log Koa (Koawin est ): 6.104 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.61E-007 Octanol/air (Koa) model: 3.12E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.03E-005 Mackay model : 4.49E-005 Octanol/air (Koa) model: 2.5E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 170.5550 E-12 cm3/molecule-sec Half-Life = 0.063 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.753 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.26E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 978.9 Log Koc: 2.991 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 = 2.484 (BCF = 304.8) log Kow used: 4.14 (estimated) Volatilization from Water: Henry LC: 0.000266 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.289 hours Half-Life from Model Lake : 158.4 hours (6.602 days) Removal In Wastewater Treatment: Total removal: 42.40 percent Total biodegradation: 0.35 percent Total sludge adsorption: 35.05 percent Total to Air: 7.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.103 1.51 1000 Water 11 900 1000 Soil 85.4 1.8e+003 1000 Sediment 3.59 8.1e+003 0 Persistence Time: 988 hr
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