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CAS Num: 097593-29-8
SMILES : CCCCCCCC(=O)OCC(O)CO
CHEM : Glycerides, C8-21 and C8-21-unsatd. mono- and di-
MOL FOR: C11 H22 O4
MOL WT : 218.30
------------------------------ EPI SUMMARY (v4.00) --------------------------
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) = 1.71
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 331.72 (Adapted Stein & Brown method)
Melting Pt (deg C): 84.79 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.33E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000311 (Modified Grain method)
Subcooled liquid VP: 8.71E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.00116 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1229
log Kow used: 1.71 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 16617 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.26E-009 atm-m3/mole (2.29E-004 Pa-m3/mole)
Group Method: 3.88E-013 atm-m3/mole (3.93E-008 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 5.446E-010 atm-m3/mole (5.518E-005 Pa-m3/mole)
VP: 2.33E-006 mm Hg (source: MPBPVP)
WS: 1.23E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.71 (KowWin est)
Log Kaw used: -7.034 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.744
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.2437
Biowin2 (Non-Linear Model) : 0.9997
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.4753 (days-weeks )
Biowin4 (Primary Survey Model) : 4.2897 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.0738
Biowin6 (MITI Non-Linear Model): 0.9826
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9182
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): 0.00116 Pa (8.71E-006 mm Hg)
Log Koa (Koawin est ): 8.744
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00258
Octanol/air (Koa) model: 0.000136
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0853
Mackay model : 0.171
Octanol/air (Koa) model: 0.0108
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 23.7360 E-12 cm3/molecule-sec
Half-Life = 0.451 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.407 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.128 (Junge-Pankow, Mackay avg)
0.0108 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 9.604 L/kg (Kow method)
Log Koc: 0.982 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 6.266E-002 L/mol-sec
Kb Half-Life at pH 8: 128.021 days
Kb Half-Life at pH 7: 3.505 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.792 (BCF = 6.196 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.1749 days (HL = 0.006685 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.240 (BCF = 1.736)
Log BAF Arnot-Gobas method (upper trophic) = 0.240 (BAF = 1.736)
log Kow used: 1.71 (estimated)
Volatilization from Water:
Henry LC: 2.26E-009 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.828E+005 hours (1.595E+004 days)
Half-Life from Model Lake : 4.176E+006 hours (1.74E+005 days)
Removal In Wastewater Treatment:
Total removal: 2.05 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.96 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 0.0779 10.8 1000
Water 28.5 208 1000
Soil 71.4 416 1000
Sediment 0.06 1.87e+003 0
Persistence Time: 403 hr