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CAS Number: 14491-66-8

SMILES : CCCCCCCCOC(=O)CCC(=O)OCCCCCCCC

CHEM :

MOL FOR: C20 H38 O4

MOL WT : 342.52

------------------------------ 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) = 7.28

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

Boiling Pt (deg C): 370.00 (Adapted Stein & Brown method)

Melting Pt (deg C): 14.28 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.4E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00587 (Modified Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.004167

log Kow used: 7.28 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0050183 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 2.93E-005 atm-m3/mole (2.97E+000 Pa-m3/mole)

Group Method: 7.39E-006 atm-m3/mole (7.48E-001 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: 4.759E-003 atm-m3/mole (4.822E+002 Pa-m3/mole)

VP: 4.4E-005 mm Hg (source: MPBPVP)

WS: 0.00417 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.28 (KowWin est)

Log Kaw used: -2.922 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.202

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1497

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3193 (days-weeks )

Biowin4 (Primary Survey Model) : 4.3496 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.1721

Biowin6 (MITI Non-Linear Model): 0.9883

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8010

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): 0.00587 Pa (4.4E-005 mm Hg)

Log Koa (Koawin est ): 10.202

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

Mackay model : 0.000511

Octanol/air (Koa) model: 0.00391

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0181

Mackay model : 0.0393

Octanol/air (Koa) model: 0.238

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 21.1512 E-12 cm3/molecule-sec

Half-Life = 0.506 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.068 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0287 (Junge-Pankow, Mackay avg)

0.238 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.277E+004 L/kg (MCI method)

Log Koc: 4.106 (MCI method)

Koc : 6.618E+004 L/kg (Kow method)

Log Koc: 4.821 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 3.375E-002 L/mol-sec

Kb Half-Life at pH 8: 237.658 days

Kb Half-Life at pH 7: 6.507 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 3.390 (BCF = 2456 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7535 days (HL = 0.1764 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.195 (BCF = 15.68)

Log BAF Arnot-Gobas method (upper trophic) = 1.204 (BAF = 16)

log Kow used: 7.28 (estimated)

Volatilization from Water:

Henry LC: 7.39E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 148.5 hours (6.188 days)

Half-Life from Model Lake : 1775 hours (73.97 days)

Removal In Wastewater Treatment:

Total removal: 93.94 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.16 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 1.67 12.1 1000

Water 26 208 1000

Soil 69.2 416 1000

Sediment 3.18 1.87e+003 0

Persistence Time: 293 hr

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