19-Hydroxynonadecanoic acid
C(CCCCCCCCCO)CCCCCCCCC(=O)O
InChI=1S/C19H38O3/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h20H,1-18H2,(H,21,22)
LSEAKSNIGVHVQY-UHFFFAOYSA-N
CSID:4446044, http://www.chemspider.com/Chemical-Structure.4446044.html (accessed 16:27, Mar 28, 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) = 6.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 437.10 (Adapted Stein & Brown method) Melting Pt (deg C): 163.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.54E-010 (Modified Grain method) Subcooled liquid VP: 1.48E-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): 0.09037 log Kow used: 6.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.072867 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-009 atm-m3/mole Group Method: 1.20E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.537E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.97 (KowWin est) Log Kaw used: -6.996 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.966 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8292 Biowin2 (Non-Linear Model) : 0.5753 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0287 (weeks ) Biowin4 (Primary Survey Model) : 3.9090 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0083 Biowin6 (MITI Non-Linear Model): 0.9650 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.6234 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): 1.97E-006 Pa (1.48E-008 mm Hg) Log Koa (Koawin est ): 13.966 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.52 Octanol/air (Koa) model: 22.7 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.982 Mackay model : 0.992 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.1513 E-12 cm3/molecule-sec Half-Life = 0.380 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.559 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.987 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1201 Log Koc: 3.080 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: 6.97 (estimated) Volatilization from Water: Henry LC: 1.2E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.653E+005 hours (3.605E+004 days) Half-Life from Model Lake : 9.439E+006 hours (3.933E+005 days) Removal In Wastewater Treatment: Total removal: 93.83 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.05 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 0.17 9.12 1000 Water 3.89 360 1000 Soil 34.9 720 1000 Sediment 61 3.24e+003 0 Persistence Time: 1.35e+003 hr
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