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CAS Number: 97-41-6


CHEM : Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, e

thyl ester

MOL FOR: C12 H20 O2

MOL WT : 196.29

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 4.26

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

Boiling Pt (deg C): 231.48 (Adapted Stein & Brown method)

Melting Pt (deg C): 14.99 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0724 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 9.65 (Mean VP of Antoine & Grain methods)

BP (exp database): 112 @ 10 mm Hg deg C

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

Water Solubility at 25 deg C (mg/L): 10.44

log Kow used: 4.26 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 40.822 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:



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

Bond Method : 1.03E-003 atm-m3/mole (1.04E+002 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.791E-003 atm-m3/mole (1.815E+002 Pa-m3/mole)

VP: 0.0724 mm Hg (source: MPBPVP)

WS: 10.4 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.26 (KowWin est)

Log Kaw used: -1.376 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.636

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6443

Biowin2 (Non-Linear Model) : 0.9294

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6935 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6401 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6221

Biowin6 (MITI Non-Linear Model): 0.5001

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3072

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): 9.12 Pa (0.0684 mm Hg)

Log Koa (Koawin est ): 5.636

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

Mackay model : 3.29E-007

Octanol/air (Koa) model: 1.06E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.19E-005

Mackay model : 2.63E-005

Octanol/air (Koa) model: 8.49E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 89.2451 E-12 cm3/molecule-sec

Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.438 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.378 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

1.91E-005 (Junge-Pankow, Mackay avg)

8.49E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 439.8 L/kg (MCI method)

Log Koc: 2.643 (MCI method)

Koc : 1644 L/kg (Kow method)

Log Koc: 3.216 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.201E-002 L/mol-sec

Kb Half-Life at pH 8: 1.829 years

Kb Half-Life at pH 7: 18.293 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.221 (BCF = 16.64 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4152 days (HL = 0.3844 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.178 (BCF = 150.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.178 (BAF = 150.7)

log Kow used: 4.26 (estimated)

Volatilization from Water:

Henry LC: 0.00103 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.226 hours

Half-Life from Model Lake : 141.8 hours (5.907 days)

Removal In Wastewater Treatment:

Total removal: 56.52 percent

Total biodegradation: 0.34 percent

Total sludge adsorption: 38.46 percent

Total to Air: 17.72 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0997 0.523 1000

Water 17.7 900 1000

Soil 81.7 1.8e+003 1000

Sediment 0.432 8.1e+003 0

Persistence Time: 510 hr

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