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CAS Number: 69278-77-9
SMILES : CCCCCCCCCCCC(=O)OCCOCCOCCO
CHEM : Fatty acids, coco, oxybis(2,1-ethanediyloxy-2,1-ethanediyl)esters
MOL FOR: C18 H36 O5
MOL WT : 332.48
------------------------------ 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) = 3.76
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 404.95 (Adapted Stein & Brown method)
Melting Pt (deg C): 137.55 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.74E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 1.3E-006 (Modified Grain method)
Subcooled liquid VP: 1.32E-007 mm Hg (25 deg C, Mod-Grain method)
: 1.77E-005 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 15.66
log Kow used: 3.76 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 38.335 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.49E-011 atm-m3/mole (3.54E-006 Pa-m3/mole)
Group Method: 2.62E-013 atm-m3/mole (2.66E-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: 2.721E-010 atm-m3/mole (2.757E-005 Pa-m3/mole)
VP: 9.74E-009 mm Hg (source: MPBPVP)
WS: 15.7 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.76 (KowWin est)
Log Kaw used: -8.846 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.606
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3359
Biowin2 (Non-Linear Model) : 0.1779
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0456 (weeks )
Biowin4 (Primary Survey Model) : 3.9760 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.0219
Biowin6 (MITI Non-Linear Model): 0.9550
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6447
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): 1.76E-005 Pa (1.32E-007 mm Hg)
Log Koa (Koawin est ): 12.606
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.17
Octanol/air (Koa) model: 0.991
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.86
Mackay model : 0.932
Octanol/air (Koa) model: 0.988
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 47.0068 E-12 cm3/molecule-sec
Half-Life = 0.228 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.730 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.896 (Junge-Pankow, Mackay avg)
0.988 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 137 L/kg (MCI method)
Log Koc: 2.137 (MCI method)
Koc : 222.1 L/kg (Kow method)
Log Koc: 2.347 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 6.204E-002 L/mol-sec
Kb Half-Life at pH 8: 129.295 days
Kb Half-Life at pH 7: 3.540 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.149 (BCF = 140.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.4359 days (HL = 0.03665 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.202 (BCF = 15.91)
Log BAF Arnot-Gobas method (upper trophic) = 1.202 (BAF = 15.91)
log Kow used: 3.76 (estimated)
Volatilization from Water:
Henry LC: 2.62E-013 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 4.075E+009 hours (1.698E+008 days)
Half-Life from Model Lake : 4.445E+010 hours (1.852E+009 days)
Removal In Wastewater Treatment:
Total removal: 20.42 percent
Total biodegradation: 0.24 percent
Total sludge adsorption: 20.18 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 3.85e-005 5.46 1000
Water 18.5 360 1000
Soil 81.3 720 1000
Sediment 0.134 3.24e+003 0
Persistence Time: 754 hr