This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 142-20-1
SMILES : O=C(OCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
CHEM : Octadecanoic acid, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester
MOL FOR: C44 H86 O7
MOL WT : 727.17
------------------------------ 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) = 15.30
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 684.65 (Adapted Stein & Brown method)
Melting Pt (deg C): 295.65 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.15E-016 (Modified Grain method)
VP (Pa, 25 deg C) : 5.54E-014 (Modified Grain method)
Subcooled liquid VP: 4.3E-013 mm Hg (25 deg C, Mod-Grain method)
: 5.73E-011 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.997e-012
log Kow used: 15.30 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7.2717e-007 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.80E-008 atm-m3/mole (1.83E-003 Pa-m3/mole)
Group Method: 3.62E-011 atm-m3/mole (3.67E-006 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: 1.988E-004 atm-m3/mole (2.015E+001 Pa-m3/mole)
VP: 4.15E-016 mm Hg (source: MPBPVP)
WS: 2E-012 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 15.30 (KowWin est)
Log Kaw used: -6.133 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 21.433
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.0755
Biowin2 (Non-Linear Model) : 0.0031
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4433 (weeks-months)
Biowin4 (Primary Survey Model) : 3.7654 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.2181
Biowin6 (MITI Non-Linear Model): 0.9652
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6530
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): 5.73E-011 Pa (4.3E-013 mm Hg)
Log Koa (Koawin est ): 21.433
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.23E+004
Octanol/air (Koa) model: 6.65E+008
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 = 88.6328 E-12 cm3/molecule-sec
Half-Life = 0.121 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.448 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 : 3.379E+008 L/kg (MCI method)
Log Koc: 8.529 (MCI method)
Koc : 9.661E+008 L/kg (Kow method)
Log Koc: 8.985 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.241E-001 L/mol-sec
Kb Half-Life at pH 8: 64.648 days
Kb Half-Life at pH 7: 1.770 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) = 1.2580 days (HL = 18.11 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
Log BAF Arnot-Gobas method (upper trophic) = -0.046 (BAF = 0.8997)
log Kow used: 15.30 (estimated)
Volatilization from Water:
Henry LC: 3.62E-011 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 4.361E+007 hours (1.817E+006 days)
Half-Life from Model Lake : 4.758E+008 hours (1.982E+007 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 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 0.105 2.9 1000
Water 16.7 900 1000
Soil 83.2 1.8e+003 1000
Sediment 0.00338 8.1e+003 0
Persistence Time: 1.14e+003 hr