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CAS Num: 000110-40-7


CHEM : Decanedioic acid, diethyl ester

MOL FOR: C14 H26 O4

MOL WT : 258.36

------------------------------ 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) = 4.33

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

Boiling Pt (deg C): 293.66 (Adapted Stein & Brown method)

Melting Pt (deg C): -6.58 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0015 (Modified Grain method)

VP (Pa, 25 deg C) : 0.199 (Modified Grain method)

MP (exp database): 5 deg C

BP (exp database): 305 deg C

VP (exp database): 5.08E-04 mm Hg (6.77E-002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 4.231

log Kow used: 4.33 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 80 mg/L (20 deg C)

Exper. Ref: STEPHEN,H & STEPHEN,T (1963)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6.3126 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 5.35E-006 atm-m3/mole (5.42E-001 Pa-m3/mole)

Group Method: 9.30E-007 atm-m3/mole (9.42E-002 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: 1.205E-004 atm-m3/mole (1.221E+001 Pa-m3/mole)

VP: 0.0015 mm Hg (source: MPBPVP)

WS: 4.23 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.33 (KowWin est)

Log Kaw used: -3.660 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.990

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9729

Biowin2 (Non-Linear Model) : 0.9994

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9086 (weeks )

Biowin4 (Primary Survey Model) : 3.9329 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.1260

Biowin6 (MITI Non-Linear Model): 0.9865

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.2805

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): 0.0677 Pa (0.000508 mm Hg)

Log Koa (Koawin est ): 7.990

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

Mackay model : 4.43E-005

Octanol/air (Koa) model: 2.4E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0016

Mackay model : 0.00353

Octanol/air (Koa) model: 0.00192

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 12.5139 E-12 cm3/molecule-sec

Half-Life = 0.855 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 10.257 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00256 (Junge-Pankow, Mackay avg)

0.00192 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 348.5 L/kg (MCI method)

Log Koc: 2.542 (MCI method)

Koc : 1545 L/kg (Kow method)

Log Koc: 3.189 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 5.697E-002 L/mol-sec

Kb Half-Life at pH 8: 140.816 days

Kb Half-Life at pH 7: 3.855 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.152 (BCF = 14.19 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.6567 days (HL = 0.02205 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.100 (BCF = 12.59)

Log BAF Arnot-Gobas method (upper trophic) = 1.100 (BAF = 12.59)

log Kow used: 4.33 (estimated)

Volatilization from Water:

Henry LC: 9.3E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1014 hours (42.23 days)

Half-Life from Model Lake : 1.119E+004 hours (466.3 days)

Removal In Wastewater Treatment:

Total removal: 46.91 percent

Total biodegradation: 0.45 percent

Total sludge adsorption: 46.43 percent

Total to Air: 0.03 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.48 20.5 1000

Water 24.7 360 1000

Soil 73.4 720 1000

Sediment 0.362 3.24e+003 0

Persistence Time: 481 hr

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