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CAS Number: 220621-22-7


CHEM : 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoic acid

MOL FOR: C15 H26 O4

MOL WT : 270.37

------------------------------ 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) = 4.62

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

Boiling Pt (deg C): 364.85 (Adapted Stein & Brown method)

Melting Pt (deg C): 123.74 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.08E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000811 (Modified Grain method)

Subcooled liquid VP: 5.85E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.0078 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 5.088

log Kow used: 4.62 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 57.049 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.30E-008 atm-m3/mole (1.31E-003 Pa-m3/mole)

Group Method: 1.62E-009 atm-m3/mole (1.64E-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: 4.251E-007 atm-m3/mole (4.307E-002 Pa-m3/mole)

VP: 6.08E-006 mm Hg (source: MPBPVP)

WS: 5.09 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.62 (KowWin est)

Log Kaw used: -6.275 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.895

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8657

Biowin2 (Non-Linear Model) : 0.9800

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1065 (weeks )

Biowin4 (Primary Survey Model) : 4.0722 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6280

Biowin6 (MITI Non-Linear Model): 0.4674

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6264

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): 0.0078 Pa (5.85E-005 mm Hg)

Log Koa (Koawin est ): 10.895

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

Mackay model : 0.000385

Octanol/air (Koa) model: 0.0193

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0137

Mackay model : 0.0299

Octanol/air (Koa) model: 0.607

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 21.5191 E-12 cm3/molecule-sec

Half-Life = 0.497 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.965 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0218 (Junge-Pankow, Mackay avg)

0.607 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 206.9 L/kg (MCI method)

Log Koc: 2.316 (MCI method)

Koc : 442.2 L/kg (Kow method)

Log Koc: 2.646 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.563E-002 L/mol-sec

Kb Half-Life at pH 8: 1.405 years

Kb Half-Life at pH 7: 14.054 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2465 days (HL = 0.5668 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.356 (BCF = 226.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.356 (BAF = 227.1)

log Kow used: 4.62 (estimated)

Volatilization from Water:

Henry LC: 1.62E-009 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 5.943E+005 hours (2.476E+004 days)

Half-Life from Model Lake : 6.483E+006 hours (2.701E+005 days)

Removal In Wastewater Treatment:

Total removal: 62.16 percent

Total biodegradation: 0.57 percent

Total sludge adsorption: 61.60 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 0.0285 11.9 1000

Water 18 360 1000

Soil 81.8 720 1000

Sediment 0.175 3.24e+003 0

Persistence Time: 750 hr

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