17-Octadecene-9,11-diynoic acid
C=CCCCCC#CC#CCCCCCCCC(=O)O
InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-6,11-17H2,(H,19,20)
OASRDXXKKGHDJZ-UHFFFAOYSA-N
CSID:4472111, http://www.chemspider.com/Chemical-Structure.4472111.html (accessed 01:38, Apr 19, 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) = 6.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 397.98 (Adapted Stein & Brown method) Melting Pt (deg C): 164.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.38E-007 (Modified Grain method) Subcooled liquid VP: 9.31E-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): 0.05373 log Kow used: 6.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.069878 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 : 1.07E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.271E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.91 (KowWin est) Log Kaw used: -4.359 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.269 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6896 Biowin2 (Non-Linear Model) : 0.4391 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9574 (weeks ) Biowin4 (Primary Survey Model) : 3.8374 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6391 Biowin6 (MITI Non-Linear Model): 0.6338 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0882 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): 0.00124 Pa (9.31E-006 mm Hg) Log Koa (Koawin est ): 11.269 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00242 Octanol/air (Koa) model: 0.0456 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0803 Mackay model : 0.162 Octanol/air (Koa) model: 0.785 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 111.2194 E-12 cm3/molecule-sec Half-Life = 0.096 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.154 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): 0.121 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.167E+004 Log Koc: 4.067 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 = 1.750 (BCF = 56.23) log Kow used: 6.91 (estimated) Volatilization from Water: Henry LC: 1.07E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 908.1 hours (37.84 days) Half-Life from Model Lake : 1.005E+004 hours (418.6 days) Removal In Wastewater Treatment: Total removal: 93.80 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.02 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 0.0808 2.1 1000 Water 4.3 360 1000 Soil 29.5 720 1000 Sediment 66.1 3.24e+003 0 Persistence Time: 1.19e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight