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CAS Num: 001120-28-1


CHEM : Eicosanoic acid, methyl ester

MOL FOR: C21 H42 O2

MOL WT : 326.57

------------------------------ 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) = 9.21

Log Kow (Exper. database match) = 9.30

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

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

Boiling Pt (deg C): 372.19 (Adapted Stein & Brown method)

Melting Pt (deg C): 99.63 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.08E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00278 (Modified Grain method)

MP (exp database): 54.5 deg C

Subcooled liquid VP: 3.9E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.0052 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 9.78e-005

log Kow used: 9.30 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.00010716 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 2.88E-002 atm-m3/mole (2.91E+003 Pa-m3/mole)

Group Method: 5.87E-002 atm-m3/mole (5.95E+003 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: 9.139E-002 atm-m3/mole (9.260E+003 Pa-m3/mole)

VP: 2.08E-005 mm Hg (source: MPBPVP)

WS: 9.78E-005 mg/L (source: WSKOWWIN)

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

Log Kow used: 9.30 (exp database)

Log Kaw used: 0.071 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.229

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8747

Biowin2 (Non-Linear Model) : 0.9865

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9160 (weeks )

Biowin4 (Primary Survey Model) : 3.8746 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9746

Biowin6 (MITI Non-Linear Model): 0.9649

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9989

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): 0.0052 Pa (3.9E-005 mm Hg)

Log Koa (Koawin est ): 9.229

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

Mackay model : 0.000577

Octanol/air (Koa) model: 0.000416

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0204

Mackay model : 0.0441

Octanol/air (Koa) model: 0.0322

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 24.4986 E-12 cm3/molecule-sec

Half-Life = 0.437 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.239 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0323 (Junge-Pankow, Mackay avg)

0.0322 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.577E+005 L/kg (MCI method)

Log Koc: 5.198 (MCI method)

Koc : 1.008E+006 L/kg (Kow method)

Log Koc: 6.004 (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 = 2.400 (BCF = 251.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6830 days (HL = 4.819 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.751 (BCF = 5.632)

Log BAF Arnot-Gobas method (upper trophic) = 2.311 (BAF = 204.5)

log Kow used: 9.30 (expkow database)

Volatilization from Water:

Henry LC: 0.0587 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.862 hours

Half-Life from Model Lake : 171.8 hours (7.16 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.24 percent

Total to Air: 0.02 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.04 10.5 1000

Water 25.1 360 1000

Soil 72.7 720 1000

Sediment 1.16 3.24e+003 0

Persistence Time: 448 hr

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