14-Hydroxytetradecanoic acid
C(CCCCCCC(=O)O)CCCCCCO
InChI=1S/C14H28O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h15H,1-13H2,(H,16,17)
JOSXCARTDOQGLV-UHFFFAOYSA-N
CSID:2341369, http://www.chemspider.com/Chemical-Structure.2341369.html (accessed 17:20, Jun 7, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 379.08 (Adapted Stein & Brown method) Melting Pt (deg C): 129.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.77E-008 (Modified Grain method) Subcooled liquid VP: 7.56E-007 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): 28.45 log Kow used: 4.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 27.419 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 : 6.00E-010 atm-m3/mole Group Method: 2.13E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.652E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.52 (KowWin est) Log Kaw used: -7.610 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.130 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8626 Biowin2 (Non-Linear Model) : 0.7857 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1837 (weeks ) Biowin4 (Primary Survey Model) : 4.0102 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9698 Biowin6 (MITI Non-Linear Model): 0.9606 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.4935 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): 0.000101 Pa (7.56E-007 mm Hg) Log Koa (Koawin est ): 12.130 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0298 Octanol/air (Koa) model: 0.331 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.518 Mackay model : 0.704 Octanol/air (Koa) model: 0.964 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.0860 E-12 cm3/molecule-sec Half-Life = 0.507 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.087 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.611 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 56.27 Log Koc: 1.750 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: 4.52 (estimated) Volatilization from Water: Henry LC: 2.13E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.297E+006 hours (1.79E+005 days) Half-Life from Model Lake : 4.688E+007 hours (1.953E+006 days) Removal In Wastewater Treatment: Total removal: 57.08 percent Total biodegradation: 0.53 percent Total sludge adsorption: 56.55 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 0.00772 12.2 1000 Water 14.8 360 1000 Soil 79.3 720 1000 Sediment 5.9 3.24e+003 0 Persistence Time: 824 hr
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