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CAS Num: 037172-02-4

SMILES : O=C(OC(C=C)(C(CCC1)C(CC)C)C1)C

CHEM : Cyclohexanol, 1-ethenyl-2-(1-methylpropyl)-, acetate

MOL FOR: C14 H24 O2

MOL WT : 224.35

------------------------------ 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) = 5.27

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

Boiling Pt (deg C): 264.06 (Adapted Stein & Brown method)

Melting Pt (deg C): 33.76 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0107 (Modified Grain method)

VP (Pa, 25 deg C) : 1.43 (Modified Grain method)

Subcooled liquid VP: 0.0129 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1.034

log Kow used: 5.27 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 7.4789 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Vinyl/Allyl Esters

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

Bond Method : 1.30E-003 atm-m3/mole (1.32E+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: 3.055E-003 atm-m3/mole (3.095E+002 Pa-m3/mole)

VP: 0.0107 mm Hg (source: MPBPVP)

WS: 1.03 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.27 (KowWin est)

Log Kaw used: -1.275 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.545

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6310

Biowin2 (Non-Linear Model) : 0.8984

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6315 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5996 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5660

Biowin6 (MITI Non-Linear Model): 0.5460

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3660

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): 1.72 Pa (0.0129 mm Hg)

Log Koa (Koawin est ): 6.545

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

Mackay model : 1.74E-006

Octanol/air (Koa) model: 8.61E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.3E-005

Mackay model : 0.00014

Octanol/air (Koa) model: 6.89E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 40.0228 E-12 cm3/molecule-sec

Half-Life = 0.267 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.207 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

0.000101 (Junge-Pankow, Mackay avg)

6.89E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1740 L/kg (MCI method)

Log Koc: 3.241 (MCI method)

Koc : 5950 L/kg (Kow method)

Log Koc: 3.775 (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 = 3.143 (BCF = 1390 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2897 days (HL = 0.5132 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.319 (BCF = 208.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.320 (BAF = 208.9)

log Kow used: 5.27 (estimated)

Volatilization from Water:

Henry LC: 0.0013 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.203 hours

Half-Life from Model Lake : 149.6 hours (6.234 days)

Removal In Wastewater Treatment:

Total removal: 86.12 percent

Total biodegradation: 0.67 percent

Total sludge adsorption: 80.73 percent

Total to Air: 4.73 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.654 6.16 1000

Water 11.8 900 1000

Soil 86.5 1.8e+003 1000

Sediment 1.14 8.1e+003 0

Persistence Time: 744 hr

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