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CAS Num: 039556-41-7

SMILES : OC(C)COC(=O)CCCCC

CHEM :

MOL FOR: C9 H18 O3

MOL WT : 174.24

------------------------------ 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) = 1.78

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

Boiling Pt (deg C): 244.52 (Adapted Stein & Brown method)

Melting Pt (deg C): 17.65 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00463 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.617 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 5719

log Kow used: 1.78 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6474.4 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 3.51E-008 atm-m3/mole (3.56E-003 Pa-m3/mole)

Group Method: 1.69E-008 atm-m3/mole (1.71E-003 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: 1.856E-007 atm-m3/mole (1.881E-002 Pa-m3/mole)

VP: 0.00463 mm Hg (source: MPBPVP)

WS: 5.72E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.78 (KowWin est)

Log Kaw used: -5.843 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.623

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1059

Biowin2 (Non-Linear Model) : 0.9995

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4126 (days-weeks )

Biowin4 (Primary Survey Model) : 4.2238 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8959

Biowin6 (MITI Non-Linear Model): 0.9540

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6279

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): 0.592 Pa (0.00444 mm Hg)

Log Koa (Koawin est ): 7.623

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

Mackay model : 5.07E-006

Octanol/air (Koa) model: 1.03E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000183

Mackay model : 0.000405

Octanol/air (Koa) model: 0.000824

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 14.9954 E-12 cm3/molecule-sec

Half-Life = 0.713 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.559 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000294 (Junge-Pankow, Mackay avg)

0.000824 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 10 L/kg (MCI method)

Log Koc: 1.000 (MCI method)

Koc : 27.08 L/kg (Kow method)

Log Koc: 1.433 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 6.266E-002 L/mol-sec

Kb Half-Life at pH 8: 128.021 days

Kb Half-Life at pH 7: 3.505 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.842 (BCF = 6.956 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.8044 days (HL = 0.01569 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.433 (BCF = 2.711)

Log BAF Arnot-Gobas method (upper trophic) = 0.433 (BAF = 2.711)

log Kow used: 1.78 (estimated)

Volatilization from Water:

Henry LC: 1.69E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 4.573E+004 hours (1905 days)

Half-Life from Model Lake : 4.99E+005 hours (2.079E+004 days)

Removal In Wastewater Treatment:

Total removal: 2.09 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.99 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 0.457 17.1 1000

Water 29.7 208 1000

Soil 69.8 416 1000

Sediment 0.0624 1.87e+003 0

Persistence Time: 373 hr

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