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CAS Number: 68201-46-7
SMILES : OCCOCCOCCOCCOCCOCC(OCCOCCOCCOCCOCCO)COC(=O)(CCCCCCCCCCC)
CHEM : Glycerides, coco mono- and di-, ethoxylated
MOL FOR: C35 H70 O14
MOL WT : 714.94
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 0.93
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 735.10 (Adapted Stein & Brown method)
Melting Pt (deg C): 322.42 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.95E-022 (Modified Grain method)
VP (Pa, 25 deg C) : 6.6E-020 (Modified Grain method)
Subcooled liquid VP: 1.12E-018 mm Hg (25 deg C, Mod-Grain method)
: 1.49E-016 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 4.519
log Kow used: 0.93 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 39199 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.77E-027 atm-m3/mole (5.85E-022 Pa-m3/mole)
Group Method: 3.08E-039 atm-m3/mole (3.12E-034 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: 1.030E-022 atm-m3/mole (1.044E-017 Pa-m3/mole)
VP: 4.95E-022 mm Hg (source: MPBPVP)
WS: 4.52 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.93 (KowWin est)
Log Kaw used: -24.627 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 25.557
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -2.4663
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2910 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4758 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7970
Biowin6 (MITI Non-Linear Model): 0.2559
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.0305
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 1.49E-016 Pa (1.12E-018 mm Hg)
Log Koa (Koawin est ): 25.557
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.01E+010
Octanol/air (Koa) model: 8.85E+012
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 174.1884 E-12 cm3/molecule-sec
Half-Life = 0.061 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.737 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1593 L/kg (MCI method)
Log Koc: 3.202 (MCI method)
Koc : 0.8257 L/kg (Kow method)
Log Koc: -0.083 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -3.1541 days (HL = 0.0007013 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.020 (BCF = 1.046)
Log BAF Arnot-Gobas method (upper trophic) = 0.020 (BAF = 1.046)
log Kow used: 0.93 (estimated)
Volatilization from Water:
Henry LC: 5.77E-027 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.713E+023 hours (1.13E+022 days)
Half-Life from Model Lake : 2.96E+024 hours (1.233E+023 days)
Removal In Wastewater Treatment:
Total removal: 1.88 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.79 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 8.86e-008 1.47 1000
Water 11.5 900 1000
Soil 87.5 1.8e+003 1000
Sediment 1.03 8.1e+003 0
Persistence Time: 1.85e+003 hr