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CAS Num: 007491-02-3


CHEM : Decanedioic acid, bis(1-methylethyl) ester

MOL FOR: C16 H30 O4

MOL WT : 286.42

------------------------------ 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) = 5.17

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

Boiling Pt (deg C): 305.35 (Adapted Stein & Brown method)

Melting Pt (deg C): -6.90 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00147 (Modified Grain method)

VP (Pa, 25 deg C) : 0.196 (Modified Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.5672

log Kow used: 5.17 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.6574 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 9.42E-006 atm-m3/mole (9.55E-001 Pa-m3/mole)

Group Method: 5.11E-006 atm-m3/mole (5.18E-001 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: 9.767E-004 atm-m3/mole (9.897E+001 Pa-m3/mole)

VP: 0.00147 mm Hg (source: MPBPVP)

WS: 0.567 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.17 (KowWin est)

Log Kaw used: -3.414 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.584

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9596

Biowin2 (Non-Linear Model) : 0.9992

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8467 (weeks )

Biowin4 (Primary Survey Model) : 3.8924 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8432

Biowin6 (MITI Non-Linear Model): 0.9216

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7377

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): 0.196 Pa (0.00147 mm Hg)

Log Koa (Koawin est ): 8.584

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

Mackay model : 1.53E-005

Octanol/air (Koa) model: 9.42E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000553

Mackay model : 0.00122

Octanol/air (Koa) model: 0.00748

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.0677 E-12 cm3/molecule-sec

Half-Life = 0.666 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.988 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000888 (Junge-Pankow, Mackay avg)

0.00748 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 818.8 L/kg (MCI method)

Log Koc: 2.913 (MCI method)

Koc : 4504 L/kg (Kow method)

Log Koc: 3.654 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.282E-002 L/mol-sec

Kb Half-Life at pH 8: 187.349 days

Kb Half-Life at pH 7: 5.129 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.703 (BCF = 50.47 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.4125 days (HL = 0.03868 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.228 (BCF = 16.9)

Log BAF Arnot-Gobas method (upper trophic) = 1.228 (BAF = 16.9)

log Kow used: 5.17 (estimated)

Volatilization from Water:

Henry LC: 5.11E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 195.6 hours (8.151 days)

Half-Life from Model Lake : 2276 hours (94.84 days)

Removal In Wastewater Treatment:

Total removal: 82.42 percent

Total biodegradation: 0.71 percent

Total sludge adsorption: 81.68 percent

Total to Air: 0.04 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.34 16 1000

Water 24.4 360 1000

Soil 73.5 720 1000

Sediment 0.722 3.24e+003 0

Persistence Time: 468 hr

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