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: 26962-29-8
SMILES : CCOC(COC(=O)CCC(=O)O)OCC
CHEM :
MOL FOR: C10 H18 O6
MOL WT : 234.25
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 0.49
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 331.92 (Adapted Stein & Brown method)
Melting Pt (deg C): 100.53 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.48E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00864 (Modified Grain method)
Subcooled liquid VP: 0.000353 mm Hg (25 deg C, Mod-Grain method)
: 0.047 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2.73e+004
log Kow used: 0.49 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.1032e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.78E-012 atm-m3/mole (2.82E-007 Pa-m3/mole)
Group Method: 5.11E-014 atm-m3/mole (5.18E-009 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: 7.316E-010 atm-m3/mole (7.413E-005 Pa-m3/mole)
VP: 6.48E-005 mm Hg (source: MPBPVP)
WS: 2.73E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.49 (KowWin est)
Log Kaw used: -9.944 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.434
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1882
Biowin2 (Non-Linear Model) : 0.0792
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1690 (weeks )
Biowin4 (Primary Survey Model) : 4.1048 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7403
Biowin6 (MITI Non-Linear Model): 0.7714
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4852
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): 0.0471 Pa (0.000353 mm Hg)
Log Koa (Koawin est ): 10.434
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.37E-005
Octanol/air (Koa) model: 0.00667
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0023
Mackay model : 0.00507
Octanol/air (Koa) model: 0.348
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 24.6562 E-12 cm3/molecule-sec
Half-Life = 0.434 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.206 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00369 (Junge-Pankow, Mackay avg)
0.348 (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 : 1.513 L/kg (Kow method)
Log Koc: 0.180 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.923E-001 L/mol-sec
Kb Half-Life at pH 8: 41.724 days
Kb Half-Life at pH 7: 1.142 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.9937 days (HL = 0.01015 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.006 (BCF = 0.9866)
Log BAF Arnot-Gobas method (upper trophic) = -0.006 (BAF = 0.9866)
log Kow used: 0.49 (estimated)
Volatilization from Water:
Henry LC: 2.78E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.223E+008 hours (1.343E+007 days)
Half-Life from Model Lake : 3.516E+009 hours (1.465E+008 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 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 5.94e-005 10.4 1000
Water 30.6 360 1000
Soil 69.4 720 1000
Sediment 0.0688 3.24e+003 0
Persistence Time: 640 hr