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CAS Number: 144-15-0


CHEM : tris(2-ethylhexyl) 2-acetyloxypropane-1,2,3-tricarboxylate

MOL FOR: C32 H58 O8

MOL WT : 570.81

------------------------------ 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) = 9.96

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

Boiling Pt (deg C): 529.01 (Adapted Stein & Brown method)

Melting Pt (deg C): 184.60 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.08E-010 (Modified Grain method)

VP (Pa, 25 deg C) : 1.45E-008 (Modified Grain method)

Subcooled liquid VP: 5.03E-009 mm Hg (25 deg C, Mod-Grain method)

: 6.7E-007 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 7.804e-007

log Kow used: 9.96 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.8556e-006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.13E-008 atm-m3/mole (1.15E-003 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.039E-004 atm-m3/mole (1.053E+001 Pa-m3/mole)

VP: 1.08E-010 mm Hg (source: MPBPVP)

WS: 7.8E-007 mg/L (source: WSKOWWIN)

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

Log Kow used: 9.96 (KowWin est)

Log Kaw used: -6.335 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 16.295

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.3139

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1815 (weeks )

Biowin4 (Primary Survey Model) : 4.5938 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.1475

Biowin6 (MITI Non-Linear Model): 0.9667

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3766

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): 6.71E-007 Pa (5.03E-009 mm Hg)

Log Koa (Koawin est ): 16.295

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

Mackay model : 4.47

Octanol/air (Koa) model: 4.84E+003

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.994

Mackay model : 0.997

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 33.4739 E-12 cm3/molecule-sec

Half-Life = 0.320 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.834 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.996 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 9.204E+007 L/kg (MCI method)

Log Koc: 7.964 (MCI method)

Koc : 2.009E+006 L/kg (Kow method)

Log Koc: 6.303 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 5.345E-002 L/mol-sec

Kb Half-Life at pH 8: 150.071 days

Kb Half-Life at pH 7: 4.109 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.078 (BCF = 119.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.6251 days (HL = 0.02371 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.8991)

Log BAF Arnot-Gobas method (upper trophic) = -0.046 (BAF = 0.8991)

log Kow used: 9.96 (estimated)

Volatilization from Water:

Henry LC: 1.13E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.238E+005 hours (5158 days)

Half-Life from Model Lake : 1.351E+006 hours (5.628E+004 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 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 0.283 7.67 1000

Water 9.52 360 1000

Soil 46.7 720 1000

Sediment 43.5 3.24e+003 0

Persistence Time: 898 hr

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