Try beta.chemspider
15-Hexadecynoic acid
C#CCCCCCCCCCCCCCC(=O)O
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1H,3-15H2,(H,17,18)
PUZGUNYANHPRKM-UHFFFAOYSA-N
CSID:112945, http://www.chemspider.com/Chemical-Structure.112945.html (accessed 09:59, Apr 26, 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) = 6.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 362.91 (Adapted Stein & Brown method) Melting Pt (deg C): 124.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.59E-006 (Modified Grain method) Subcooled liquid VP: 6.51E-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): 0.2943 log Kow used: 6.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.19274 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 : 3.58E-006 atm-m3/mole Group Method: 9.52E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.437E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.19 (KowWin est) Log Kaw used: -3.835 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.025 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7001 Biowin2 (Non-Linear Model) : 0.5169 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0060 (weeks ) Biowin4 (Primary Survey Model) : 3.8692 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7848 Biowin6 (MITI Non-Linear Model): 0.8762 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.3607 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): 0.00868 Pa (6.51E-005 mm Hg) Log Koa (Koawin est ): 10.025 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000346 Octanol/air (Koa) model: 0.0026 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0123 Mackay model : 0.0269 Octanol/air (Koa) model: 0.172 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.0740 E-12 cm3/molecule-sec Half-Life = 0.427 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.119 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.003000 E-17 cm3/molecule-sec Half-Life = 382.000 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.0196 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3431 Log Koc: 3.535 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: 6.19 (estimated) Volatilization from Water: Henry LC: 9.52E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 978.7 hours (40.78 days) Half-Life from Model Lake : 1.081E+004 hours (450.4 days) Removal In Wastewater Treatment: Total removal: 92.81 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.04 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 0.394 10.2 1000 Water 6.36 360 1000 Soil 34.5 720 1000 Sediment 58.8 3.24e+003 0 Persistence Time: 1.04e+003 hr
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