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: 25446-80-4
SMILES : S(=O)(=O)(O[Na])OCCOCCOCCOCCCCCCCCCCCCCC
CHEM : Ethanol, 2-[2-[2-(tetradecyloxy)ethoxy]ethoxy]-, hydrogen sulfate, so
dium salt
MOL FOR: C20 H41 O7 S1 Na1
MOL WT : 448.60
------------------------------ EPI SUMMARY (v4.00) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 1.85
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 717.52 (Adapted Stein & Brown method)
Melting Pt (deg C): 314.20 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.18E-017 (Modified Grain method)
VP (Pa, 25 deg C) : 4.24E-015 (Modified Grain method)
Subcooled liquid VP: 5.66E-014 mm Hg (25 deg C, Mod-Grain method)
: 7.54E-012 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 39.95
log Kow used: 1.85 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0071998 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.22E-012 atm-m3/mole (1.24E-007 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: 4.698E-019 atm-m3/mole (4.761E-014 Pa-m3/mole)
VP: 3.18E-017 mm Hg (source: MPBPVP)
WS: 40 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.85 (KowWin est)
Log Kaw used: -10.302 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.152
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.3892
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5287 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4721 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3867
Biowin6 (MITI Non-Linear Model): 0.1266
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1608
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 7.55E-012 Pa (5.66E-014 mm Hg)
Log Koa (Koawin est ): 12.152
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.98E+005
Octanol/air (Koa) model: 0.348
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 0.965
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 62.3184 E-12 cm3/molecule-sec
Half-Life = 0.172 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.060 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
0.965 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5704 L/kg (MCI method)
Log Koc: 3.756 (MCI method)
Koc : 68.87 L/kg (Kow method)
Log Koc: 1.838 (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 v3.00):
Log BCF from regression-based method = 1.850 (BCF = 70.79 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.2019 days (HL = 0.06282 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.172 (BCF = 14.87)
Log BAF Arnot-Gobas method (upper trophic) = 1.172 (BAF = 14.87)
log Kow used: 2.58 (estimated)
Volatilization from Water:
Henry LC: 1.22E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.016E+009 hours (4.235E+007 days)
Half-Life from Model Lake : 1.109E+010 hours (4.62E+008 days)
Removal In Wastewater Treatment:
Total removal: 2.13 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.03 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 0.131 4.12 1000
Water 15.4 900 1000
Soil 79.4 1.8e+003 1000
Sediment 5.07 8.1e+003 0
Persistence Time: 1.23e+003 hr