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CAS Number: 693-23-2


CHEM : Dodecanedioic acid

MOL FOR: C12 H22 O4

MOL WT : 230.31

------------------------------ 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) = 3.17

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

Boiling Pt (deg C): 383.26 (Adapted Stein & Brown method)

Melting Pt (deg C): 142.71 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.98E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000264 (Modified Grain method)

MP (exp database): 128 deg C

Subcooled liquid VP: 2.11E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00282 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 146.4

log Kow used: 3.17 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 40 mg/L (20 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 39.958 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 : 5.22E-011 atm-m3/mole (5.29E-006 Pa-m3/mole)

Group Method: 6.43E-012 atm-m3/mole (6.52E-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: 4.098E-009 atm-m3/mole (4.153E-004 Pa-m3/mole)

VP: 1.98E-006 mm Hg (source: MPBPVP)

WS: 146 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.17 (KowWin est)

Log Kaw used: -8.671 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.841

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7833

Biowin2 (Non-Linear Model) : 0.7359

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4194 (days-weeks )

Biowin4 (Primary Survey Model) : 4.2866 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8835

Biowin6 (MITI Non-Linear Model): 0.9199

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.4695

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): 0.00281 Pa (2.11E-005 mm Hg)

Log Koa (Koawin est ): 11.841

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

Mackay model : 0.00107

Octanol/air (Koa) model: 0.17

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0371

Mackay model : 0.0786

Octanol/air (Koa) model: 0.932

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 14.0676 E-12 cm3/molecule-sec

Half-Life = 0.760 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.124 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0578 (Junge-Pankow, Mackay avg)

0.932 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 891.9 L/kg (MCI method)

Log Koc: 2.950 (MCI method)

Koc : 81.12 L/kg (Kow method)

Log Koc: 1.909 (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) = -0.1495 days (HL = 0.7087 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.012 (BCF = 102.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.012 (BAF = 102.9)

log Kow used: 3.17 (estimated)

Volatilization from Water:

Henry LC: 6.43E-012 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.382E+008 hours (5.758E+006 days)

Half-Life from Model Lake : 1.507E+009 hours (6.281E+007 days)

Removal In Wastewater Treatment:

Total removal: 7.42 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 7.29 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 0.000194 18.2 1000

Water 18.4 208 1000

Soil 81.2 416 1000

Sediment 0.412 1.87e+003 0

Persistence Time: 465 hr

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