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CAS Number: 51446-62-9

SMILES : O=C(OC(COP(O)(=O)OCC(N)C(=O)(O))COC(=O)CC)CCC

CHEM :

MOL FOR: C13 H24 N1 O10 P1

MOL WT : 385.31

------------------------------ 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) = -3.02

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

Boiling Pt (deg C): 480.00 (Adapted Stein & Brown method)

Melting Pt (deg C): 304.03 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.75E-013 (Modified Grain method)

VP (Pa, 25 deg C) : 7.66E-011 (Modified Grain method)

Subcooled liquid VP: 7.58E-010 mm Hg (25 deg C, Mod-Grain method)

: 1.01E-007 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.212e+004

log Kow used: -3.02 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.7355e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines-acid

Esters-acid

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

Bond Method : 3.69E-022 atm-m3/mole (3.74E-017 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: 2.405E-017 atm-m3/mole (2.437E-012 Pa-m3/mole)

VP: 5.75E-013 mm Hg (source: MPBPVP)

WS: 1.21E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: -3.02 (KowWin est)

Log Kaw used: -19.821 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 16.801

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1390

Biowin2 (Non-Linear Model) : 0.9994

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0171 (weeks )

Biowin4 (Primary Survey Model) : 4.1786 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6637

Biowin6 (MITI Non-Linear Model): 0.3920

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.2089

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): 1.01E-007 Pa (7.58E-010 mm Hg)

Log Koa (Koawin est ): 16.801

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

Mackay model : 29.7

Octanol/air (Koa) model: 1.55E+004

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.999

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 94.0686 E-12 cm3/molecule-sec

Half-Life = 0.114 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.364 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.999 (Junge-Pankow, Mackay avg)

1 (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 : 0.02727 L/kg (Kow method)

Log Koc: -1.564 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.693E-001 L/mol-sec

Kb Half-Life at pH 8: 29.791 days

Kb Half-Life at pH 7: 297.911 days

(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) = -3.9337 days (HL = 0.0001165 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)

log Kow used: -3.02 (estimated)

Volatilization from Water:

Henry LC: 3.69E-022 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.115E+018 hours (1.298E+017 days)

Half-Life from Model Lake : 3.398E+019 hours (1.416E+018 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 2.14e-011 2.73 1000

Water 30.6 360 1000

Soil 69.4 720 1000

Sediment 0.0688 3.24e+003 0

Persistence Time: 640 hr

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