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: 6065-82-3
SMILES : O=C(OCC)C(OCC)OCC
CHEM : Acetic acid, diethoxy-, ethyl ester
MOL FOR: C8 H16 O4
MOL WT : 176.21
------------------------------ 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) = 0.75
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 200.38 (Adapted Stein & Brown method)
Melting Pt (deg C): -9.06 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.379 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 50.6 (Mean VP of Antoine & Grain methods)
BP (exp database): 199 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.326e+004
log Kow used: 0.75 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 59052 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.99E-006 atm-m3/mole (2.02E-001 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: 6.627E-006 atm-m3/mole (6.715E-001 Pa-m3/mole)
VP: 0.379 mm Hg (source: MPBPVP)
WS: 1.33E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.75 (KowWin est)
Log Kaw used: -4.090 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.840
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1431
Biowin2 (Non-Linear Model) : 0.0934
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9326 (weeks )
Biowin4 (Primary Survey Model) : 3.8030 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6334
Biowin6 (MITI Non-Linear Model): 0.7145
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1668
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): 46.3 Pa (0.347 mm Hg)
Log Koa (Koawin est ): 4.840
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.48E-008
Octanol/air (Koa) model: 1.7E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.34E-006
Mackay model : 5.19E-006
Octanol/air (Koa) model: 1.36E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 16.2096 E-12 cm3/molecule-sec
Half-Life = 0.660 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.918 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
3.76E-006 (Junge-Pankow, Mackay avg)
1.36E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 12.39 L/kg (Kow method)
Log Koc: 1.093 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.196E-001 L/mol-sec
Kb Half-Life at pH 8: 67.063 days
Kb Half-Life at pH 7: 1.836 years
(Total Kb applies only to esters, carbmates, alkyl halides)
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) = -1.9502 days (HL = 0.01122 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.030 (BCF = 1.071)
Log BAF Arnot-Gobas method (upper trophic) = 0.030 (BAF = 1.071)
log Kow used: 0.75 (estimated)
Volatilization from Water:
Henry LC: 1.99E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 391.9 hours (16.33 days)
Half-Life from Model Lake : 4387 hours (182.8 days)
Removal In Wastewater Treatment:
Total removal: 1.98 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.78 percent
Total to Air: 0.11 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.7 15.8 1000
Water 39.4 360 1000
Soil 58.8 720 1000
Sediment 0.0888 3.24e+003 0
Persistence Time: 379 hr