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: 33939-65-0
SMILES : O=C(O([Na]))COCCOCCCCCCCCCCCCCCCC
CHEM :
MOL FOR: C20 H39 O4 Na1
MOL WT : 366.52
------------------------------ 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) = 2.60
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 625.32 (Adapted Stein & Brown method)
Melting Pt (deg C): 271.14 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.14E-014 (Modified Grain method)
VP (Pa, 25 deg C) : 4.19E-012 (Modified Grain method)
Subcooled liquid VP: 1.6E-011 mm Hg (25 deg C, Mod-Grain method)
: 2.14E-009 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 29.47
log Kow used: 2.60 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.089257 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.97E-008 atm-m3/mole (5.03E-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: 5.138E-016 atm-m3/mole (5.207E-011 Pa-m3/mole)
VP: 3.14E-014 mm Hg (source: MPBPVP)
WS: 29.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.60 (KowWin est)
Log Kaw used: -5.692 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.292
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0699
Biowin2 (Non-Linear Model) : 0.0019
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0834 (weeks )
Biowin4 (Primary Survey Model) : 3.9858 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7611
Biowin6 (MITI Non-Linear Model): 0.7773
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5789
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): 2.13E-009 Pa (1.6E-011 mm Hg)
Log Koa (Koawin est ): 8.292
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.41E+003
Octanol/air (Koa) model: 4.81E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 0.00383
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 45.0831 E-12 cm3/molecule-sec
Half-Life = 0.237 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.847 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
0.00383 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2331 L/kg (MCI method)
Log Koc: 3.367 (MCI method)
Koc : 25.86 L/kg (Kow method)
Log Koc: 1.413 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1623 days (HL = 1.453 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.594 (BCF = 392.3)
Log BAF Arnot-Gobas method (upper trophic) = 2.697 (BAF = 498.1)
log Kow used: 6.41 (estimated)
Volatilization from Water:
Henry LC: 4.97E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.256E+004 hours (939.8 days)
Half-Life from Model Lake : 2.462E+005 hours (1.026E+004 days)
Removal In Wastewater Treatment:
Total removal: 3.42 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 3.31 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 0.39 5.7 1000
Water 21.9 360 1000
Soil 76 720 1000
Sediment 1.65 3.24e+003 0
Persistence Time: 529 hr