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CAS Number: 95912-86-0
SMILES : CCCCCCCC(=O)OCCCCCCCCCCCC
CHEM : Fatty acids, C8-10, C12-18-alkyl esters
MOL FOR: C20 H40 O2
MOL WT : 312.54
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 8.72
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 360.59 (Adapted Stein & Brown method)
Melting Pt (deg C): 90.61 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.39E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00985 (Modified Grain method)
MP (exp database): 9.7 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0003691
log Kow used: 8.72 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00035319 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.17E-002 atm-m3/mole (2.20E+003 Pa-m3/mole)
Group Method: 3.97E-002 atm-m3/mole (4.02E+003 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: 8.234E-002 atm-m3/mole (8.343E+003 Pa-m3/mole)
VP: 7.39E-005 mm Hg (source: MPBPVP)
WS: 0.000369 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.72 (KowWin est)
Log Kaw used: -0.052 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.772
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9898
Biowin2 (Non-Linear Model) : 0.9982
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2454 (weeks )
Biowin4 (Primary Survey Model) : 4.1639 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.9670
Biowin6 (MITI Non-Linear Model): 0.9641
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6552
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): 0.00985 Pa (7.39E-005 mm Hg)
Log Koa (Koawin est ): 8.772
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000304
Octanol/air (Koa) model: 0.000145
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0109
Mackay model : 0.0238
Octanol/air (Koa) model: 0.0115
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 23.1961 E-12 cm3/molecule-sec
Half-Life = 0.461 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.533 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0173 (Junge-Pankow, Mackay avg)
0.0115 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8.651E+004 L/kg (MCI method)
Log Koc: 4.937 (MCI method)
Koc : 4.817E+005 L/kg (Kow method)
Log Koc: 5.683 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.369E-002 L/mol-sec
Kb Half-Life at pH 8: 338.674 days
Kb Half-Life at pH 7: 9.272 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.684 (BCF = 482.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.5512 days (HL = 3.558 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.148 (BCF = 14.07)
Log BAF Arnot-Gobas method (upper trophic) = 2.497 (BAF = 314)
log Kow used: 8.72 (estimated)
Volatilization from Water:
Henry LC: 0.0397 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.83 hours
Half-Life from Model Lake : 168.2 hours (7.008 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.21 percent
Total to Air: 0.06 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.14 11.1 1000
Water 24.6 360 1000
Soil 71.9 720 1000
Sediment 2.31 3.24e+003 0
Persistence Time: 446 hr