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N-Phenyldodecanamide
CCCCCCCCCCCC(=O)Nc1ccccc1
InChI=1S/C18H29NO/c1-2-3-4-5-6-7-8-9-13-16-18(20)19-17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3,(H,19,20)
YGKDYOGEVVXBKW-UHFFFAOYSA-N
CSID:85530, http://www.chemspider.com/Chemical-Structure.85530.html (accessed 18:29, 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) = 6.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 421.98 (Adapted Stein & Brown method) Melting Pt (deg C): 158.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.05E-007 (Modified Grain method) Subcooled liquid VP: 2.42E-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): 0.1252 log Kow used: 6.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.06468 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.05E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.039E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.01 (KowWin est) Log Kaw used: -5.367 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.377 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0631 Biowin2 (Non-Linear Model) : 0.9956 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8566 (weeks ) Biowin4 (Primary Survey Model) : 3.9297 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5550 Biowin6 (MITI Non-Linear Model): 0.5927 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1282 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): 0.000323 Pa (2.42E-006 mm Hg) Log Koa (Koawin est ): 11.377 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0093 Octanol/air (Koa) model: 0.0585 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.251 Mackay model : 0.427 Octanol/air (Koa) model: 0.824 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.9660 E-12 cm3/molecule-sec Half-Life = 0.369 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.431 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.339 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.819E+004 Log Koc: 4.260 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 = 2.428 (BCF = 268.1) log Kow used: 6.01 (estimated) Volatilization from Water: Henry LC: 1.05E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9256 hours (385.7 days) Half-Life from Model Lake : 1.011E+005 hours (4213 days) Removal In Wastewater Treatment: Total removal: 92.20 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.43 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 0.28 8.86 1000 Water 7.09 360 1000 Soil 40.3 720 1000 Sediment 52.3 3.24e+003 0 Persistence Time: 1.04e+003 hr
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