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CAS Number: 477218-42-1


CHEM : 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl cyclopropanecarbo


MOL FOR: C18 H32 O3

MOL WT : 296.45

------------------------------ EPI SUMMARY (v4.10) --------------------------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 5.82

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

Boiling Pt (deg C): 327.54 (Adapted Stein & Brown method)

Melting Pt (deg C): 97.00 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.94E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0119 (Modified Grain method)

Subcooled liquid VP: 0.000447 mm Hg (25 deg C, Mod-Grain method)

: 0.0596 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.1391

log Kow used: 5.82 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.045 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 2.11E-005 atm-m3/mole (2.13E+000 Pa-m3/mole)

Group Method: 1.12E-006 atm-m3/mole (1.13E-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: 2.507E-004 atm-m3/mole (2.540E+001 Pa-m3/mole)

VP: 8.94E-005 mm Hg (source: MPBPVP)

WS: 0.139 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.82 (KowWin est)

Log Kaw used: -3.064 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.884

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0654

Biowin2 (Non-Linear Model) : 0.0180

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2513 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3324 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4547

Biowin6 (MITI Non-Linear Model): 0.2127

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.0967

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): 0.0596 Pa (0.000447 mm Hg)

Log Koa (Koawin est ): 8.884

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

Mackay model : 5.03E-005

Octanol/air (Koa) model: 0.000188

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00181

Mackay model : 0.00401

Octanol/air (Koa) model: 0.0148

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.5771 E-12 cm3/molecule-sec

Half-Life = 0.350 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.198 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00291 (Junge-Pankow, Mackay avg)

0.0148 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3020 L/kg (MCI method)

Log Koc: 3.480 (MCI method)

Koc : 9730 L/kg (Kow method)

Log Koc: 3.988 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.971E-003 L/mol-sec

Kb Half-Life at pH 8: 5.531 years

Kb Half-Life at pH 7: 55.309 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.245 (BCF = 175.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2294 days (HL = 0.5897 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.342 (BCF = 219.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.347 (BAF = 222.4)

log Kow used: 5.82 (estimated)

Volatilization from Water:

Henry LC: 1.12E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 901.8 hours (37.58 days)

Half-Life from Model Lake : 9982 hours (415.9 days)

Removal In Wastewater Treatment:

Total removal: 91.21 percent

Total biodegradation: 0.76 percent

Total sludge adsorption: 90.45 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 0.32 8.4 1000

Water 17.1 900 1000

Soil 79.7 1.8e+003 1000

Sediment 2.87 8.1e+003 0

Persistence Time: 1.1e+003 hr

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