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N,N-Dihexylhexanamide
CCCCCCN(CCCCCC)C(=O)CCCCC
InChI=1S/C18H37NO/c1-4-7-10-13-16-19(17-14-11-8-5-2)18(20)15-12-9-6-3/h4-17H2,1-3H3
PTNKBMIGCUULJJ-UHFFFAOYSA-N
CSID:2842573, http://www.chemspider.com/Chemical-Structure.2842573.html (accessed 00:36, Jul 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) = 6.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 366.93 (Adapted Stein & Brown method) Melting Pt (deg C): 117.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.38E-006 (Modified Grain method) Subcooled liquid VP: 5.21E-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): 0.05337 log Kow used: 6.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.087376 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.85E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.459E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.39 (KowWin est) Log Kaw used: -3.934 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.324 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1480 Biowin2 (Non-Linear Model) : 0.9993 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4135 (days-weeks ) Biowin4 (Primary Survey Model) : 4.4514 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6884 Biowin6 (MITI Non-Linear Model): 0.7856 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5598 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): 0.00695 Pa (5.21E-005 mm Hg) Log Koa (Koawin est ): 10.324 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000432 Octanol/air (Koa) model: 0.00518 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0154 Mackay model : 0.0334 Octanol/air (Koa) model: 0.293 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.6020 E-12 cm3/molecule-sec Half-Life = 0.245 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.944 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0244 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.645E+004 Log Koc: 4.752 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 = 2.721 (BCF = 525.5) log Kow used: 6.39 (estimated) Volatilization from Water: Henry LC: 2.85E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 347.6 hours (14.48 days) Half-Life from Model Lake : 3933 hours (163.9 days) Removal In Wastewater Treatment: Total removal: 93.26 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.49 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 0.441 5.89 1000 Water 8.12 208 1000 Soil 34.6 416 1000 Sediment 56.8 1.87e+003 0 Persistence Time: 584 hr
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