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CAS Num: 000124-10-7

SMILES : O=C(OC)CCCCCCCCCCCCC

CHEM : Tetradecanoic acid, methyl ester

MOL FOR: C15 H30 O2

MOL WT : 242.41

------------------------------ 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) = 6.27

Log Kow (Exper. database match) = 6.41

Exper. Ref: KROP,HB ET AL. (1997)

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

Boiling Pt (deg C): 296.50 (Adapted Stein & Brown method)

Melting Pt (deg C): 35.85 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00254 (Modified Grain method)

VP (Pa, 25 deg C) : 0.339 (Modified Grain method)

MP (exp database): 19 deg C

BP (exp database): 295 deg C

VP (exp database): 4.90E-04 mm Hg (6.53E-002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 0.08744

log Kow used: 6.41 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.13266 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 5.25E-003 atm-m3/mole (5.32E+002 Pa-m3/mole)

Group Method: 7.39E-003 atm-m3/mole (7.48E+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: 9.265E-003 atm-m3/mole (9.388E+002 Pa-m3/mole)

VP: 0.00254 mm Hg (source: MPBPVP)

WS: 0.0874 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.41 (exp database)

Log Kaw used: -0.668 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.078

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9148

Biowin2 (Non-Linear Model) : 0.9959

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1020 (weeks )

Biowin4 (Primary Survey Model) : 3.9960 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9285

Biowin6 (MITI Non-Linear Model): 0.9596

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8429

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): 0.0653 Pa (0.00049 mm Hg)

Log Koa (Koawin est ): 7.078

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

Mackay model : 4.59E-005

Octanol/air (Koa) model: 2.94E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00166

Mackay model : 0.00366

Octanol/air (Koa) model: 0.000235

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.0203 E-12 cm3/molecule-sec

Half-Life = 0.668 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.012 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00266 (Junge-Pankow, Mackay avg)

0.000235 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4304 L/kg (MCI method)

Log Koc: 3.634 (MCI method)

Koc : 2.541E+004 L/kg (Kow method)

Log Koc: 4.405 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.016E-002 L/mol-sec

Kb Half-Life at pH 8: 266.000 days

Kb Half-Life at pH 7: 7.283 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.522 (BCF = 332.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1346 days (HL = 0.7336 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.303 (BCF = 201)

Log BAF Arnot-Gobas method (upper trophic) = 2.333 (BAF = 215.1)

log Kow used: 6.41 (expkow database)

Volatilization from Water:

Henry LC: 0.00739 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.712 hours

Half-Life from Model Lake : 149.2 hours (6.218 days)

Removal In Wastewater Treatment:

Total removal: 93.64 percent

Total biodegradation: 0.74 percent

Total sludge adsorption: 90.84 percent

Total to Air: 2.05 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.96 16 1000

Water 18.8 360 1000

Soil 76 720 1000

Sediment 2.22 3.24e+003 0

Persistence Time: 349 hr

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