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Propyl 2-hydroxypropanoate
CCCOC(=O)C(C)O
InChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3
ILVGAIQLOCKNQA-UHFFFAOYSA-N
CSID:83790, http://www.chemspider.com/Chemical-Structure.83790.html (accessed 21:36, 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) = 0.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 187.13 (Adapted Stein & Brown method) Melting Pt (deg C): -16.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.159 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.592e+005 log Kow used: 0.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.0054e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.40E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.737E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.31 (KowWin est) Log Kaw used: -2.582 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.892 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0175 Biowin2 (Non-Linear Model) : 0.9982 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2073 (weeks ) Biowin4 (Primary Survey Model) : 4.0155 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8728 Biowin6 (MITI Non-Linear Model): 0.9507 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8677 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): 18.9 Pa (0.142 mm Hg) Log Koa (Koawin est ): 2.892 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.58E-007 Octanol/air (Koa) model: 1.91E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.72E-006 Mackay model : 1.27E-005 Octanol/air (Koa) model: 1.53E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.5664 E-12 cm3/molecule-sec Half-Life = 1.922 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.058 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.2E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.043 Log Koc: 0.018 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.482E-001 L/mol-sec Kb Half-Life at pH 8: 8.460 days Kb Half-Life at pH 7: 84.602 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.31 (estimated) Volatilization from Water: Henry LC: 6.4E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 11.69 hours Half-Life from Model Lake : 223.9 hours (9.33 days) Removal In Wastewater Treatment: Total removal: 5.08 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.71 percent Total to Air: 3.28 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 7.51 46.1 1000 Water 46.9 360 1000 Soil 45.5 720 1000 Sediment 0.0874 3.24e+003 0 Persistence Time: 271 hr
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