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CAS Number: 59130-70-0


CHEM : Hexanoic acid, 2-ethyl-, octadecyl ester

MOL FOR: C26 H52 O2

MOL WT : 396.70

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

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 v1.67 estimate) = 11.59

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

Boiling Pt (deg C): 423.22 (Adapted Stein & Brown method)

Melting Pt (deg C): 135.20 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.76E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 2.34E-005 (Modified Grain method)

Subcooled liquid VP: 2.25E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.0003 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 4.022e-007

log Kow used: 11.59 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.505e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.19E-001 atm-m3/mole (1.20E+004 Pa-m3/mole)

Group Method: 4.88E-001 atm-m3/mole (4.95E+004 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: 2.284E-001 atm-m3/mole (2.314E+004 Pa-m3/mole)

VP: 1.76E-007 mm Hg (source: MPBPVP)

WS: 4.02E-007 mg/L (source: WSKOWWIN)

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

Log Kow used: 11.59 (KowWin est)

Log Kaw used: 0.687 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.903

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9497

Biowin2 (Non-Linear Model) : 0.9942

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0594 (weeks )

Biowin4 (Primary Survey Model) : 4.0425 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8640

Biowin6 (MITI Non-Linear Model): 0.9240

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5137

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): 0.0003 Pa (2.25E-006 mm Hg)

Log Koa (Koawin est ): 10.903

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

Mackay model : 0.01

Octanol/air (Koa) model: 0.0196

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.265

Mackay model : 0.444

Octanol/air (Koa) model: 0.611

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.7181 E-12 cm3/molecule-sec

Half-Life = 0.348 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.178 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.355 (Junge-Pankow, Mackay avg)

0.611 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.98E+006 L/kg (MCI method)

Log Koc: 6.474 (MCI method)

Koc : 1.863E+007 L/kg (Kow method)

Log Koc: 7.270 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 6.196E-004 L/mol-sec

Kb Half-Life at pH 8: 35.448 years

Kb Half-Life at pH 7: 354.480 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.276 (BCF = 18.88 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.3690 days (HL = 23.39 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.002 (BCF = 1.005)

Log BAF Arnot-Gobas method (upper trophic) = 1.798 (BAF = 62.74)

log Kow used: 11.59 (estimated)

Volatilization from Water:

Henry LC: 0.488 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.035 hours

Half-Life from Model Lake : 189.2 hours (7.884 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 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 0.7 8.36 1000

Water 23.8 360 1000

Soil 75.4 720 1000

Sediment 0.108 3.24e+003 0

Persistence Time: 482 hr

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