SMILES : OCC(O)COC(=O)CC(=O)CCCCCCC
CHEM : 2,3-dihydroxypropyl 3-oxodecanoate
MOL FOR: C13 H24 O5
MOL WT : 260.33
------------------------------ EPI SUMMARY (v3.20) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 0.64
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 378.19 (Adapted Stein & Brown method)
Melting Pt (deg C): 125.45 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.57E-008 (Modified Grain method)
Subcooled liquid VP: 3.58E-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): 5912
log Kow used: 0.64 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 65566 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.52E-012 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 2.068E-012 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.64 (KowWin est)
Log Kaw used: -10.207 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.847
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.2305
Biowin2 (Non-Linear Model) : 0.9991
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.3599 (days-weeks )
Biowin4 (Primary Survey Model) : 4.2068 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.1159
Biowin6 (MITI Non-Linear Model): 0.9834
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5523
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): 4.77E-005 Pa (3.58E-007 mm Hg)
Log Koa (Koawin est ): 10.847
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0628
Octanol/air (Koa) model: 0.0173
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.694
Mackay model : 0.834
Octanol/air (Koa) model: 0.58
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 27.5260 E-12 cm3/molecule-sec
Half-Life = 0.389 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.663 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 0.764 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 10
Log Koc: 1.000
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 5.388E-001 L/mol-sec
Kb Half-Life at pH 8: 14.890 days
Kb Half-Life at pH 7: 148.896 days
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
log Kow used: 0.64 (estimated)
Volatilization from Water:
Henry LC: 1.52E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 9.322E+008 hours (3.884E+007 days)
Half-Life from Model Lake : 6.78E+009 hours (2.825E+008 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 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 0.000187 9.33 1000
Water 32.8 208 1000
Soil 67.1 416 1000
Sediment 0.059 1.87e+003 0
Persistence Time: 394 hr