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CAS Num: 000108-59-8


CHEM : Propanedioic acid, dimethyl ester


MOL WT : 132.12

------------------------------ 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) = -0.09

Log Kow (Exper. database match) = -0.05

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 121.41 (Adapted Stein & Brown method)

Melting Pt (deg C): -107.58 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.902 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 120 (Mean VP of Antoine & Grain methods)

MP (exp database): -61.9 deg C

BP (exp database): 181.4 deg C

VP (exp database): 9.00E-01 mm Hg (1.20E+002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 9.951e+004

log Kow used: -0.05 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.1984e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 4.17E-007 atm-m3/mole (4.23E-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: 1.576E-006 atm-m3/mole (1.597E-001 Pa-m3/mole)

VP: 0.902 mm Hg (source: MPBPVP)

WS: 9.95E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.05 (exp database)

Log Kaw used: -4.768 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.718

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0330

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1876 (weeks )

Biowin4 (Primary Survey Model) : 4.1150 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.0568

Biowin6 (MITI Non-Linear Model): 0.9832

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.0466

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): 120 Pa (0.9 mm Hg)

Log Koa (Koawin est ): 4.718

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

Mackay model : 2.5E-008

Octanol/air (Koa) model: 1.28E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.03E-007

Mackay model : 2E-006

Octanol/air (Koa) model: 1.03E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.5250 E-12 cm3/molecule-sec

Half-Life = 20.375 Days (12-hr day; 1.5E6 OH/cm3)

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.45E-006 (Junge-Pankow, Mackay avg)

1.03E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.572 L/kg (MCI method)

Log Koc: 0.196 (MCI method)

Koc : 5.838 L/kg (Kow method)

Log Koc: 0.766 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.682E+000 L/mol-sec

Kb Half-Life at pH 8: 2.179 days

Kb Half-Life at pH 7: 21.790 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.8979 days (HL = 0.001265 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.041 (BCF = 0.9102)

Log BAF Arnot-Gobas method (upper trophic) = -0.041 (BAF = 0.9102)

log Kow used: -0.05 (expkow database)

Volatilization from Water:

Henry LC: 4.17E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1615 hours (67.29 days)

Half-Life from Model Lake : 1.771E+004 hours (738.1 days)

Removal In Wastewater Treatment:

Total removal: 1.87 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 percent

Total to Air: 0.02 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4.5 489 1000

Water 40.9 360 1000

Soil 54.6 720 1000

Sediment 0.0775 3.24e+003 0

Persistence Time: 448 hr

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