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CAS Number: 505-48-6


CHEM : Octanedioic acid

MOL FOR: C8 H14 O4

MOL WT : 174.20

------------------------------ EPI SUMMARY (v4.10) --------------------------

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 v1.68 estimate) = 1.21

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

Boiling Pt (deg C): 336.56 (Adapted Stein & Brown method)

Melting Pt (deg C): 119.13 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.05E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0014 (Modified Grain method)

MP (exp database): 144 deg C

BP (exp database): 345.5 deg C

VP (exp database): 2.88E-07 mm Hg (3.84E-005 Pa) at 25 deg C

Subcooled liquid VP: 4.33E-006 mm Hg (25 deg C, exp database VP )

: 0.000577 Pa (25 deg C, exp database VP )

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 1.35e+004

log Kow used: 1.21 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1.19e+004 mg/L (25 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4250.3 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 : 1.68E-011 atm-m3/mole (1.70E-006 Pa-m3/mole)

Group Method: 1.62E-012 atm-m3/mole (1.64E-007 Pa-m3/mole)

Exper Database: 5.55E-12 atm-m3/mole (5.62E-007 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: 1.783E-010 atm-m3/mole (1.806E-005 Pa-m3/mole)

VP: 1.05E-005 mm Hg (source: MPBPVP)

WS: 1.35E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.21 (KowWin est)

Log Kaw used: -9.644 (exp database)

Log Koa (KOAWIN v1.10 estimate): 10.854

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8100

Biowin2 (Non-Linear Model) : 0.8607

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.5434 (days-weeks )

Biowin4 (Primary Survey Model) : 4.3676 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8527

Biowin6 (MITI Non-Linear Model): 0.9124

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.3656

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): 0.000577 Pa (4.33E-006 mm Hg)

Log Koa (Koawin est ): 10.854

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

Mackay model : 0.0052

Octanol/air (Koa) model: 0.0175

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.158

Mackay model : 0.294

Octanol/air (Koa) model: 0.584

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 8.4154 E-12 cm3/molecule-sec

Half-Life = 1.271 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 15.252 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.226 (Junge-Pankow, Mackay avg)

0.584 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 80.85 L/kg (MCI method)

Log Koc: 1.908 (MCI method)

Koc : 6.684 L/kg (Kow method)

Log Koc: 0.825 (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 v3.01):

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

Log Biotransformation Half-life (HL) = -0.7061 days (HL = 0.1967 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.381 (BCF = 2.405)

Log BAF Arnot-Gobas method (upper trophic) = 0.381 (BAF = 2.405)

log Kow used: 1.21 (estimated)

Volatilization from Water:

Henry LC: 5.55E-012 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.392E+008 hours (5.801E+006 days)

Half-Life from Model Lake : 1.519E+009 hours (6.329E+007 days)

Removal In Wastewater Treatment:

Total removal: 1.91 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.82 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 0.00017 30.5 1000

Water 20.8 208 1000

Soil 79.1 416 1000

Sediment 0.0931 1.87e+003 0

Persistence Time: 451 hr

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