Lauric acid
CCCCCCCCCCCC(=O)O
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
POULHZVOKOAJMA-UHFFFAOYSA-N
CSID:3756, http://www.chemspider.com/Chemical-Structure.3756.html (accessed 02:48, Sep 22, 2023)
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) = 5.00 Log Kow (Exper. database match) = 4.60 Exper. Ref: Sangster (1993) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 308.82 (Adapted Stein & Brown method) Melting Pt (deg C): 81.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00141 (Modified Grain method) MP (exp database): 43.2 deg C BP (exp database): 298.9 deg C VP (exp database): 1.60E-05 mm Hg at 25 deg C Subcooled liquid VP: 2.42E-005 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 12.76 log Kow used: 4.60 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 4.81 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10.972 mg/L Wat Sol (Exper. database match) = 4.81 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Surfactants-anionic-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.31E-006 atm-m3/mole Group Method: 9.30E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.913E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.60 (exp database) Log Kaw used: -3.420 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.020 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8333 Biowin2 (Non-Linear Model) : 0.9341 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4194 (days-weeks ) Biowin4 (Primary Survey Model) : 4.2134 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7919 Biowin6 (MITI Non-Linear Model): 0.8995 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8855 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): 0.00323 Pa (2.42E-005 mm Hg) Log Koa (Koawin est ): 8.020 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00093 Octanol/air (Koa) model: 2.57E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0325 Mackay model : 0.0692 Octanol/air (Koa) model: 0.00205 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.0021 E-12 cm3/molecule-sec Half-Life = 0.764 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.167 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0509 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 296.5 Log Koc: 2.472 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: 4.60 (expkow database) Volatilization from Water: Henry LC: 9.3E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 90.55 hours (3.773 days) Half-Life from Model Lake : 1106 hours (46.1 days) Removal In Wastewater Treatment: Total removal: 61.28 percent Total biodegradation: 0.56 percent Total sludge adsorption: 60.54 percent Total to Air: 0.19 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.3 18.3 1000 Water 24.4 208 1000 Soil 66 416 1000 Sediment 7.27 1.87e+003 0 Persistence Time: 305 hr
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