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CAS Num: 000110-94-1


CHEM : Pentanedioic acid


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) = -0.26

Log Kow (Exper. database match) = -0.29

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

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

Boiling Pt (deg C): 295.80 (Adapted Stein & Brown method)

Melting Pt (deg C): 92.83 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000327 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0436 (Modified Grain method)

MP (exp database): 97.8 deg C

BP (exp database): 303 deg C

VP (exp database): 2.88E-06 mm Hg (3.84E-004 Pa) at 25 deg C

Subcooled liquid VP: 1.51E-005 mm Hg (25 deg C, exp database VP )

: 0.00202 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 3.961e+005

log Kow used: -0.29 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1.6e+006 mg/L (28 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.3164e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 7.18E-012 atm-m3/mole (7.27E-007 Pa-m3/mole)

Group Method: 5.73E-013 atm-m3/mole (5.81E-008 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: 1.435E-010 atm-m3/mole (1.454E-005 Pa-m3/mole)

VP: 0.000327 mm Hg (source: MPBPVP)

WS: 3.96E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.29 (exp database)

Log Kaw used: -9.532 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.242

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8300

Biowin2 (Non-Linear Model) : 0.9183

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.6364 (days-weeks )

Biowin4 (Primary Survey Model) : 4.4283 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8297

Biowin6 (MITI Non-Linear Model): 0.9063

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.2876

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): 0.00201 Pa (1.51E-005 mm Hg)

Log Koa (Koawin est ): 9.242

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

Mackay model : 0.00149

Octanol/air (Koa) model: 0.000429

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0511

Mackay model : 0.107

Octanol/air (Koa) model: 0.0331

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 4.1763 E-12 cm3/molecule-sec

Half-Life = 2.561 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 30.734 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0788 (Junge-Pankow, Mackay avg)

0.0331 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 13.36 L/kg (MCI method)

Log Koc: 1.126 (MCI method)

Koc : 0.9893 L/kg (Kow method)

Log Koc: -0.005 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.1318 days (HL = 0.07382 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.030 (BCF = 0.9339)

Log BAF Arnot-Gobas method (upper trophic) = -0.030 (BAF = 0.9339)

log Kow used: -0.29 (expkow database)

Volatilization from Water:

Henry LC: 5.73E-013 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.174E+009 hours (4.894E+007 days)

Half-Life from Model Lake : 1.281E+010 hours (5.339E+008 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 1.86e-005 61.5 1000

Water 27 208 1000

Soil 73 416 1000

Sediment 0.0601 1.87e+003 0

Persistence Time: 420 hr

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