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CAS Number: 33939-64-9
SMILES : CCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O([Na])
CHEM : Poly(oxy-1,2-ethanediyl), .alpha.-(carboxymethyl)-.omega.-(dodecyloxy
)-, sodium salt
MOL FOR: C24 H47 O8 Na1
MOL WT : 486.63
------------------------------ EPI SUMMARY (v4.10) --------------------------
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 v1.68 estimate) = -0.46
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 719.95 (Adapted Stein & Brown method)
Melting Pt (deg C): 315.34 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.64E-017 (Modified Grain method)
VP (Pa, 25 deg C) : 3.53E-015 (Modified Grain method)
Subcooled liquid VP: 4.86E-014 mm Hg (25 deg C, Mod-Grain method)
: 6.48E-012 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2153
log Kow used: -0.46 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 105.69 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.32E-016 atm-m3/mole (9.45E-011 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: 7.851E-021 atm-m3/mole (7.955E-016 Pa-m3/mole)
VP: 2.64E-017 mm Hg (source: MPBPVP)
WS: 2.15E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.46 (KowWin est)
Log Kaw used: -13.419 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.959
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -1.3767
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7833 (weeks )
Biowin4 (Primary Survey Model) : 3.7736 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6074
Biowin6 (MITI Non-Linear Model): 0.2833
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3462
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): 6.48E-012 Pa (4.86E-014 mm Hg)
Log Koa (Koawin est ): 12.959
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.63E+005
Octanol/air (Koa) model: 2.23
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 0.994
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 95.4934 E-12 cm3/molecule-sec
Half-Life = 0.112 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.344 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
0.994 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 92.53 L/kg (MCI method)
Log Koc: 1.966 (MCI method)
Koc : 0.2279 L/kg (Kow method)
Log Koc: -0.642 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9901 days (HL = 0.1023 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.563 (BCF = 36.53)
Log BAF Arnot-Gobas method (upper trophic) = 1.563 (BAF = 36.53)
log Kow used: 3.35 (estimated)
Volatilization from Water:
Henry LC: 9.32E-016 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.386E+012 hours (5.774E+010 days)
Half-Life from Model Lake : 1.512E+013 hours (6.299E+011 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 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 0.182 2.69 1000
Water 25.2 360 1000
Soil 74.5 720 1000
Sediment 0.14 3.24e+003 0
Persistence Time: 515 hr