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8-Hydroxy-17-octadecene-9,11-diynoic acid
C=CCCCCC#CC#CC(CCCCCCC(=O)O)O
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,17,19H,1,3-6,9-10,12-13,15-16H2,(H,20,21)
KWLVIGJGNBJKPA-UHFFFAOYSA-N
CSID:4472265, http://www.chemspider.com/Chemical-Structure.4472265.html (accessed 05:52, Jul 7, 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) = 5.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 430.69 (Adapted Stein & Brown method) Melting Pt (deg C): 180.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.56E-010 (Modified Grain method) Subcooled liquid VP: 2.29E-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): 2.898 log Kow used: 5.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.0109 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Surfactants-anionic-acid Propargyl Alc-hindered-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.91E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.331E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.37 (KowWin est) Log Kaw used: -8.796 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.166 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8407 Biowin2 (Non-Linear Model) : 0.6561 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0820 (weeks ) Biowin4 (Primary Survey Model) : 3.9438 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6525 Biowin6 (MITI Non-Linear Model): 0.6368 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0291 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): 3.05E-006 Pa (2.29E-008 mm Hg) Log Koa (Koawin est ): 14.166 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.983 Octanol/air (Koa) model: 36 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.973 Mackay model : 0.987 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 118.5623 E-12 cm3/molecule-sec Half-Life = 0.090 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.083 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.206000 E-17 cm3/molecule-sec Half-Life = 0.950 Days (at 7E11 mol/cm3) Half-Life = 22.806 Hrs Fraction sorbed to airborne particulates (phi): 0.98 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 571.8 Log Koc: 2.757 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 = 0.750 (BCF = 5.623) log Kow used: 5.37 (estimated) Volatilization from Water: Henry LC: 3.91E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.552E+007 hours (1.063E+006 days) Half-Life from Model Lake : 2.784E+008 hours (1.16E+007 days) Removal In Wastewater Treatment: Total removal: 86.41 percent Total biodegradation: 0.73 percent Total sludge adsorption: 85.67 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 0.0209 1.98 1000 Water 10.8 360 1000 Soil 62.4 720 1000 Sediment 26.7 3.24e+003 0 Persistence Time: 947 hr
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