3,6,9,12,15,18,21,24-Octaoxaheptacosan-27-oic acid
O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCC CopyCopied
InChI=1S/C19H38O10/c1-2-22-5-6-24-9-10-26-13-14-28-17-18-29-16-15-27-12-11-25-8-7-23-4-3-19(20)21/h2-18H2,1H3,(H,20,21) CopyCopied
LKOGWYLUBPLQLB-UHFFFAOYSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -1.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 490.08 (Adapted Stein & Brown method) Melting Pt (deg C): 207.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.61E-010 (Modified Grain method) Subcooled liquid VP: 4.89E-008 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): 1.251e+005 log Kow used: -1.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Surfactants-anionic-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.47E-021 atm-m3/mole Group Method: 1.81E-028 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.517E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.62 (KowWin est) Log Kaw used: -18.996 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.376 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -2.1617 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5519 (weeks-months) Biowin4 (Primary Survey Model) : 3.5400 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4767 Biowin6 (MITI Non-Linear Model): 0.1008 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6729 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): 6.52E-006 Pa (4.89E-008 mm Hg) Log Koa (Koawin est ): 17.376 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.46 Octanol/air (Koa) model: 5.83E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.943 Mackay model : 0.974 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 114.2622 E-12 cm3/molecule-sec Half-Life = 0.094 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.123 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.958 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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 = 0.500 (BCF = 3.162) log Kow used: -1.62 (estimated) Volatilization from Water: Henry LC: 1.81E-028 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.68E+024 hours (2.783E+023 days) Half-Life from Model Lake : 7.288E+025 hours (3.037E+024 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 6.57e-020 2.25 1000 Water 46.4 900 1000 Soil 53.5 1.8e+003 1000 Sediment 0.0891 8.1e+003 0 Persistence Time: 973 hr
Click to predict properties on the Chemicalize site