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CAS Number: 615-98-5

SMILES : CCCOC(=O)C(=O)OCCC

CHEM : dipropyl oxalate

MOL FOR: C8 H14 O4

MOL WT : 174.20

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

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 1.39

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

Boiling Pt (deg C): 186.96 (Adapted Stein & Brown method)

Melting Pt (deg C): -71.54 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.207 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 27.7 (Mean VP of Antoine & Grain methods)

MP (exp database): -44.3 deg C

BP (exp database): 211 deg C

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

Water Solubility at 25 deg C (mg/L): 3840

log Kow used: 1.39 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 7098.1 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 7.67E-006 atm-m3/mole (7.77E-001 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: 1.236E-005 atm-m3/mole (1.252E+000 Pa-m3/mole)

VP: 0.207 mm Hg (source: MPBPVP)

WS: 3.84E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.39 (KowWin est)

Log Kaw used: -3.504 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.894

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0130

Biowin2 (Non-Linear Model) : 0.9998

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0946 (weeks )

Biowin4 (Primary Survey Model) : 4.0543 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.0799

Biowin6 (MITI Non-Linear Model): 0.9844

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.1246

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): 25.5 Pa (0.191 mm Hg)

Log Koa (Koawin est ): 4.894

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

Mackay model : 1.18E-007

Octanol/air (Koa) model: 1.92E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.25E-006

Mackay model : 9.42E-006

Octanol/air (Koa) model: 1.54E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 6.3084 E-12 cm3/molecule-sec

Half-Life = 1.696 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 20.346 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

6.84E-006 (Junge-Pankow, Mackay avg)

1.54E-006 (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 : 17.19 L/kg (Kow method)

Log Koc: 1.235 (Kow method)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.582 (BCF = 3.821 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.4916 days (HL = 0.003224 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.136 (BCF = 1.368)

Log BAF Arnot-Gobas method (upper trophic) = 0.136 (BAF = 1.368)

log Kow used: 1.39 (estimated)

Volatilization from Water:

Henry LC: 7.67E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 102.1 hours (4.254 days)

Half-Life from Model Lake : 1224 hours (51.02 days)

Removal In Wastewater Treatment:

Total removal: 2.37 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.85 percent

Total to Air: 0.43 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.6 40.7 1000

Water 39.1 360 1000

Soil 57.2 720 1000

Sediment 0.088 3.24e+003 0

Persistence Time: 375 hr

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