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CAS Number: 26650-05-5


CHEM : Butanedioic acid, sulfo-, 4-[2-[(1-oxo-10-undecenyl)amino]ethyl] este

r, disodium salt

MOL FOR: C17 H27 N1 O8 S1 Na2

MOL WT : 451.45

------------------------------ 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) = -3.63

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 759.51 (Adapted Stein & Brown method)

Melting Pt (deg C): 333.82 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.31E-018 (Modified Grain method)

VP (Pa, 25 deg C) : 1.74E-016 (Modified Grain method)

Subcooled liquid VP: 4.15E-015 mm Hg (25 deg C, Mod-Grain method)

: 5.53E-013 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 1.638e+005

log Kow used: -3.63 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 46.686 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:



Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.26E-021 atm-m3/mole (1.28E-016 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: 4.751E-024 atm-m3/mole (4.814E-019 Pa-m3/mole)

VP: 1.31E-018 mm Hg (source: MPBPVP)

WS: 1.64E+005 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: -3.63 (KowWin est)

Log Kaw used: -19.288 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 15.658

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1189

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9419 (weeks )

Biowin4 (Primary Survey Model) : 4.2569 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6629

Biowin6 (MITI Non-Linear Model): 0.4847

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5263

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): 5.53E-013 Pa (4.15E-015 mm Hg)

Log Koa (Koawin est ): 15.658

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 5.42E+006

Octanol/air (Koa) model: 1.12E+003

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 53.0002 E-12 cm3/molecule-sec

Half-Life = 0.202 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.422 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 11.16 L/kg (MCI method)

Log Koc: 1.047 (MCI method)

Koc : 0.01139 L/kg (Kow method)

Log Koc: -1.943 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 2.233E-002 L/mol-sec

Kb Half-Life at pH 8: 359.238 days

Kb Half-Life at pH 7: 9.835 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) = -2.9076 days (HL = 0.001237 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.518 (BCF = 3.297)

Log BAF Arnot-Gobas method (upper trophic) = 0.518 (BAF = 3.297)

log Kow used: 2.33 (estimated)

Volatilization from Water:

Henry LC: 1.26E-021 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 9.873E+017 hours (4.114E+016 days)

Half-Life from Model Lake : 1.077E+019 hours (4.488E+017 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 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 1.62e-005 4 1000

Water 30 360 1000

Soil 70 720 1000

Sediment 0.0689 3.24e+003 0

Persistence Time: 645 hr

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