This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 144-15-0
SMILES : CCCCC(CC)COC(=O)CC(OC(=O)C)(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC
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:
Esters
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