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CAS Num: 005292-21-7

SMILES : O=C(O)CC(CCCC1)C1

CHEM : Cyclohexaneacetic acid

MOL FOR: C8 H14 O2

MOL WT : 142.20

------------------------------ 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) = 2.85

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

Boiling Pt (deg C): 252.87 (Adapted Stein & Brown method)

Melting Pt (deg C): 47.57 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0291 (Modified Grain method)

VP (Pa, 25 deg C) : 3.89 (Modified Grain method)

MP (exp database): 33 deg C

BP (exp database): 245 deg C

Subcooled liquid VP: 0.0344 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 753.2

log Kow used: 2.85 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 2880 mg/L (25 deg C)

Exper. Ref: NIYAZOV,AN ET AL. (1975)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 7297.6 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 1.32E-006 atm-m3/mole (1.34E-001 Pa-m3/mole)

Group Method: 3.22E-007 atm-m3/mole (3.27E-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: 7.229E-006 atm-m3/mole (7.325E-001 Pa-m3/mole)

VP: 0.0291 mm Hg (source: MPBPVP)

WS: 753 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.85 (KowWin est)

Log Kaw used: -4.268 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.118

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7525

Biowin2 (Non-Linear Model) : 0.8365

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2495 (weeks )

Biowin4 (Primary Survey Model) : 4.0281 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6308

Biowin6 (MITI Non-Linear Model): 0.7384

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4882

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): 4.59 Pa (0.0344 mm Hg)

Log Koa (Koawin est ): 7.118

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

Mackay model : 6.54E-007

Octanol/air (Koa) model: 3.22E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.36E-005

Mackay model : 5.23E-005

Octanol/air (Koa) model: 0.000258

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 12.0569 E-12 cm3/molecule-sec

Half-Life = 0.887 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 10.645 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.8E-005 (Junge-Pankow, Mackay avg)

0.000258 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 29.56 L/kg (MCI method)

Log Koc: 1.471 (MCI method)

Koc : 53.97 L/kg (Kow method)

Log Koc: 1.732 (Kow method)

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

Rate constants can NOT be estimated for this structure!

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) = -0.1282 days (HL = 0.7444 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.779 (BCF = 60.07)

Log BAF Arnot-Gobas method (upper trophic) = 1.779 (BAF = 60.07)

log Kow used: 2.85 (estimated)

Volatilization from Water:

Henry LC: 3.22E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2169 hours (90.39 days)

Half-Life from Model Lake : 2.377E+004 hours (990.3 days)

Removal In Wastewater Treatment:

Total removal: 4.62 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 4.48 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 1.49 21.3 1000

Water 31.3 360 1000

Soil 67.1 720 1000

Sediment 0.0958 3.24e+003 0

Persistence Time: 456 hr

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