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CAS Num: 000112-66-3

SMILES : O=C(OCCCCCCCCCCCC)C

CHEM : Acetic acid, dodecyl ester

MOL FOR: C14 H28 O2

MOL WT : 228.38

------------------------------ 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) = 5.78

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

Boiling Pt (deg C): 281.15 (Adapted Stein & Brown method)

Melting Pt (deg C): 25.16 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0121 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.62 (Mean VP of Antoine & Grain methods)

MP (exp database): 1.3 deg C

BP (exp database): 265 deg C

VP (exp database): 4.68E-04 mm Hg (6.24E-002 Pa) at 0 deg C

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

Water Solubility at 25 deg C (mg/L): 0.3631

log Kow used: 5.78 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.4304 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 3.96E-003 atm-m3/mole (4.01E+002 Pa-m3/mole)

Group Method: 4.99E-003 atm-m3/mole (5.06E+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: 1.001E-002 atm-m3/mole (1.015E+003 Pa-m3/mole)

VP: 0.0121 mm Hg (source: MPBPVP)

WS: 0.363 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.78 (KowWin est)

Log Kaw used: -0.791 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.571

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9214

Biowin2 (Non-Linear Model) : 0.9966

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1330 (weeks )

Biowin4 (Primary Survey Model) : 4.0163 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9208

Biowin6 (MITI Non-Linear Model): 0.9586

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8170

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): 1.64 Pa (0.0123 mm Hg)

Log Koa (Koawin est ): 6.571

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

Mackay model : 1.83E-006

Octanol/air (Koa) model: 9.14E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.61E-005

Mackay model : 0.000146

Octanol/air (Koa) model: 7.31E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 15.9138 E-12 cm3/molecule-sec

Half-Life = 0.672 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.065 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000106 (Junge-Pankow, Mackay avg)

7.31E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2256 L/kg (MCI method)

Log Koc: 3.353 (MCI method)

Koc : 1.139E+004 L/kg (Kow method)

Log Koc: 4.057 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.568E-002 L/mol-sec

Kb Half-Life at pH 8: 175.623 days

Kb Half-Life at pH 7: 4.808 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.103 (BCF = 126.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3179 days (HL = 0.481 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.259 (BCF = 181.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.262 (BAF = 183)

log Kow used: 5.78 (estimated)

Volatilization from Water:

Henry LC: 0.00499 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.719 hours

Half-Life from Model Lake : 145.5 hours (6.061 days)

Removal In Wastewater Treatment:

Total removal: 92.09 percent

Total biodegradation: 0.69 percent

Total sludge adsorption: 86.01 percent

Total to Air: 5.39 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.3 16.1 1000

Water 19.5 360 1000

Soil 75.9 720 1000

Sediment 1.38 3.24e+003 0

Persistence Time: 328 hr

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