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CAS Number: 15876-32-1

SMILES : CC(C)C1CCC(CC1)OC(=O)C

CHEM : (4-propan-2-ylcyclohexyl) acetate

MOL FOR: C11 H20 O2

MOL WT : 184.28

------------------------------ 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) = 3.97

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

Boiling Pt (deg C): 221.29 (Adapted Stein & Brown method)

Melting Pt (deg C): -6.70 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.123 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 16.4 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 21.4

log Kow used: 3.97 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 165.09 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 7.46E-004 atm-m3/mole (7.56E+001 Pa-m3/mole)

Group Method: 4.88E-004 atm-m3/mole (4.95E+001 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: 1.394E-003 atm-m3/mole (1.412E+002 Pa-m3/mole)

VP: 0.123 mm Hg (source: MPBPVP)

WS: 21.4 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.97 (KowWin est)

Log Kaw used: -1.516 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.486

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8340

Biowin2 (Non-Linear Model) : 0.9887

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9321 (weeks )

Biowin4 (Primary Survey Model) : 3.8108 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5620

Biowin6 (MITI Non-Linear Model): 0.5738

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2022

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): 15.2 Pa (0.114 mm Hg)

Log Koa (Koawin est ): 5.486

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

Mackay model : 1.97E-007

Octanol/air (Koa) model: 7.52E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.13E-006

Mackay model : 1.58E-005

Octanol/air (Koa) model: 6.01E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.7212 E-12 cm3/molecule-sec

Half-Life = 0.640 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.676 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.15E-005 (Junge-Pankow, Mackay avg)

6.01E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 301.1 L/kg (MCI method)

Log Koc: 2.479 (MCI method)

Koc : 1136 L/kg (Kow method)

Log Koc: 3.055 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.014E-002 L/mol-sec

Kb Half-Life at pH 8: 266.184 days

Kb Half-Life at pH 7: 7.288 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.286 (BCF = 193.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5960 days (HL = 0.2535 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.988 (BCF = 97.32)

Log BAF Arnot-Gobas method (upper trophic) = 1.988 (BAF = 97.32)

log Kow used: 3.97 (estimated)

Volatilization from Water:

Henry LC: 0.000488 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.014 hours

Half-Life from Model Lake : 146.7 hours (6.113 days)

Removal In Wastewater Treatment:

Total removal: 39.57 percent

Total biodegradation: 0.27 percent

Total sludge adsorption: 26.48 percent

Total to Air: 12.82 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.74 15.4 1000

Water 21.5 360 1000

Soil 75.5 720 1000

Sediment 0.28 3.24e+003 0

Persistence Time: 349 hr

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