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CAS Number: 193087-34-2

SMILES : CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOCC

CHEM :

MOL FOR: C28 H56 O4

MOL WT : 456.76

------------------------------ 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) = 10.14

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 477.53 (Adapted Stein & Brown method)

Melting Pt (deg C): 183.10 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.27E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 3.02E-007 (Modified Grain method)

Subcooled liquid VP: 1.01E-007 mm Hg (25 deg C, Mod-Grain method)

: 1.35E-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): 2.973e-006

log Kow used: 10.14 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 9.2432e-006 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.62E-005 atm-m3/mole (1.65E+000 Pa-m3/mole)

Group Method: 7.22E-007 atm-m3/mole (7.31E-002 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: 4.589E-004 atm-m3/mole (4.650E+001 Pa-m3/mole)

VP: 2.27E-009 mm Hg (source: MPBPVP)

WS: 2.97E-006 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 10.14 (KowWin est)

Log Kaw used: -3.179 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 13.319

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1180

Biowin2 (Non-Linear Model) : 0.0120

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6110 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6673 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9362

Biowin6 (MITI Non-Linear Model): 0.9128

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6663

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): 1.35E-005 Pa (1.01E-007 mm Hg)

Log Koa (Koawin est ): 13.319

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.223

Octanol/air (Koa) model: 5.12

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.889

Mackay model : 0.947

Octanol/air (Koa) model: 0.998

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 56.1420 E-12 cm3/molecule-sec

Half-Life = 0.191 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.286 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.918 (Junge-Pankow, Mackay avg)

0.998 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 6.315E+005 L/kg (MCI method)

Log Koc: 5.800 (MCI method)

Koc : 1.937E+006 L/kg (Kow method)

Log Koc: 6.287 (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 = 1.990 (BCF = 97.76 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7293 days (HL = 5.362 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.220 (BCF = 1.661)

Log BAF Arnot-Gobas method (upper trophic) = 1.617 (BAF = 41.41)

log Kow used: 10.14 (estimated)

Volatilization from Water:

Henry LC: 7.22E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1735 hours (72.3 days)

Half-Life from Model Lake : 1.911E+004 hours (796.2 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 0.149 4.57 1000

Water 16.1 900 1000

Soil 82.9 1.8e+003 1000

Sediment 0.878 8.1e+003 0

Persistence Time: 1.18e+003 hr

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