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CAS Num: 052406-22-1

SMILES : CCCCCCCCCCCCOC(=O)CC(=O)C

CHEM :

MOL FOR: C16 H30 O3

MOL WT : 270.42

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 4.71

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

Boiling Pt (deg C): 336.56 (Adapted Stein & Brown method)

Melting Pt (deg C): 86.02 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.13E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0095 (Modified Grain method)

Subcooled liquid VP: 0.000274 mm Hg (25 deg C, Mod-Grain method)

: 0.0366 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 1.734

log Kow used: 4.71 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.6861 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 2.66E-006 atm-m3/mole (2.70E-001 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.463E-005 atm-m3/mole (1.482E+000 Pa-m3/mole)

VP: 7.13E-005 mm Hg (source: MPBPVP)

WS: 1.73 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.71 (KowWin est)

Log Kaw used: -3.964 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.674

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9082

Biowin2 (Non-Linear Model) : 0.9904

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0177 (weeks )

Biowin4 (Primary Survey Model) : 3.9334 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9629

Biowin6 (MITI Non-Linear Model): 0.9605

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4511

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): 0.0365 Pa (0.000274 mm Hg)

Log Koa (Koawin est ): 8.674

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

Mackay model : 8.21E-005

Octanol/air (Koa) model: 0.000116

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00296

Mackay model : 0.00653

Octanol/air (Koa) model: 0.00919

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.1908 E-12 cm3/molecule-sec

Half-Life = 0.661 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.927 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00474 (Junge-Pankow, Mackay avg)

0.00919 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 893.2 L/kg (MCI method)

Log Koc: 2.951 (MCI method)

Koc : 4575 L/kg (Kow method)

Log Koc: 3.660 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.037E-001 L/mol-sec

Kb Half-Life at pH 8: 39.390 days

Kb Half-Life at pH 7: 1.078 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.399 (BCF = 25.05 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9096 days (HL = 0.1231 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.719 (BCF = 52.34)

Log BAF Arnot-Gobas method (upper trophic) = 1.719 (BAF = 52.34)

log Kow used: 4.71 (estimated)

Volatilization from Water:

Henry LC: 2.66E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 363.6 hours (15.15 days)

Half-Life from Model Lake : 4105 hours (171 days)

Removal In Wastewater Treatment:

Total removal: 66.47 percent

Total biodegradation: 0.60 percent

Total sludge adsorption: 65.82 percent

Total to Air: 0.05 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.29 15.9 1000

Water 24.4 360 1000

Soil 73.5 720 1000

Sediment 0.78 3.24e+003 0

Persistence Time: 473 hr

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