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CAS Num: 000579-94-2


CHEM : Acetic acid, ethoxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1.


MOL FOR: C14 H26 O3

MOL WT : 242.36

------------------------------ 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) = 4.11

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

Boiling Pt (deg C): 285.87 (Adapted Stein & Brown method)

Melting Pt (deg C): 30.44 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00368 (Modified Grain method)

VP (Pa, 25 deg C) : 0.491 (Modified Grain method)

Subcooled liquid VP: 0.00412 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 8.021

log Kow used: 4.11 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 104.31 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.09E-004 atm-m3/mole (1.10E+001 Pa-m3/mole)

Group Method: 3.30E-005 atm-m3/mole (3.34E+000 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: 1.463E-004 atm-m3/mole (1.482E+001 Pa-m3/mole)

VP: 0.00368 mm Hg (source: MPBPVP)

WS: 8.02 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.11 (KowWin est)

Log Kaw used: -2.351 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.461

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4590

Biowin2 (Non-Linear Model) : 0.5541

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7951 (weeks )

Biowin4 (Primary Survey Model) : 3.7173 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4826

Biowin6 (MITI Non-Linear Model): 0.2741

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0768

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.549 Pa (0.00412 mm Hg)

Log Koa (Koawin est ): 6.461

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

Mackay model : 5.46E-006

Octanol/air (Koa) model: 7.1E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000197

Mackay model : 0.000437

Octanol/air (Koa) model: 5.68E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 26.3079 E-12 cm3/molecule-sec

Half-Life = 0.407 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.879 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000317 (Junge-Pankow, Mackay avg)

5.68E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 419.7 L/kg (MCI method)

Log Koc: 2.623 (MCI method)

Koc : 1102 L/kg (Kow method)

Log Koc: 3.042 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.176E-001 L/mol-sec

Kb Half-Life at pH 8: 25.257 days

Kb Half-Life at pH 7: 252.570 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.380 (BCF = 240 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5144 days (HL = 0.3059 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.075 (BCF = 118.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.075 (BAF = 118.9)

log Kow used: 4.11 (estimated)

Volatilization from Water:

Henry LC: 0.000109 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 9.951 hours

Half-Life from Model Lake : 239.1 hours (9.962 days)

Removal In Wastewater Treatment:

Total removal: 38.04 percent

Total biodegradation: 0.35 percent

Total sludge adsorption: 34.31 percent

Total to Air: 3.38 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.22 9.76 1000

Water 22 360 1000

Soil 76.4 720 1000

Sediment 0.374 3.24e+003 0

Persistence Time: 422 hr

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