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CAS Num: 068127-22-0

SMILES : O=C(OC(C(CCC1C)C(C)C)C1)C(NC(=O)C2)C2

CHEM : D-Proline, 5-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, 1R-(1

.alpha.,2.beta.,5.alpha.) -

MOL FOR: C15 H25 N1 O3

MOL WT : 267.37

------------------------------ 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) = 3.66

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

Boiling Pt (deg C): 402.31 (Adapted Stein & Brown method)

Melting Pt (deg C): 148.71 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.04E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 5.38E-005 (Modified Grain method)

Subcooled liquid VP: 7.31E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000974 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 14.07

log Kow used: 3.66 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 766.6 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Amides

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

Bond Method : 3.86E-009 atm-m3/mole (3.91E-004 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: 1.010E-008 atm-m3/mole (1.024E-003 Pa-m3/mole)

VP: 4.04E-007 mm Hg (source: MPBPVP)

WS: 14.1 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.66 (KowWin est)

Log Kaw used: -6.802 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.462

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0046

Biowin2 (Non-Linear Model) : 0.9975

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6943 (weeks-months)

Biowin4 (Primary Survey Model) : 3.8964 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4860

Biowin6 (MITI Non-Linear Model): 0.2248

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4068

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): 0.000975 Pa (7.31E-006 mm Hg)

Log Koa (Koawin est ): 10.462

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

Mackay model : 0.00308

Octanol/air (Koa) model: 0.00711

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.1

Mackay model : 0.198

Octanol/air (Koa) model: 0.363

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 29.2283 E-12 cm3/molecule-sec

Half-Life = 0.366 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.391 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.149 (Junge-Pankow, Mackay avg)

0.363 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 547.1 L/kg (MCI method)

Log Koc: 2.738 (MCI method)

Koc : 721.7 L/kg (Kow method)

Log Koc: 2.858 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.356E-004 L/mol-sec

Kb Half-Life at pH 8: 50.419 years

Kb Half-Life at pH 7: 504.187 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.084 (BCF = 121.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.3769 days (HL = 0.04199 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.252 (BCF = 17.85)

Log BAF Arnot-Gobas method (upper trophic) = 1.252 (BAF = 17.85)

log Kow used: 3.66 (estimated)

Volatilization from Water:

Henry LC: 3.86E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.48E+005 hours (1.033E+004 days)

Half-Life from Model Lake : 2.706E+006 hours (1.127E+005 days)

Removal In Wastewater Treatment:

Total removal: 17.21 percent

Total biodegradation: 0.22 percent

Total sludge adsorption: 17.00 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 0.0301 8.78 1000

Water 13 900 1000

Soil 86.6 1.8e+003 1000

Sediment 0.392 8.1e+003 0

Persistence Time: 1.69e+003 hr

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