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CAS Num: 003230-94-2

SMILES : O=C(O)C(N(H)(H)(H)OC(=O)C(N)CC(=O)O)CCCN

CHEM : L-Aspartic acid, compd. with L-ornithine (1:1)

MOL FOR: C9 H19 N3 O6

MOL WT : 265.27

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = -8.64

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

Boiling Pt (deg C): 618.60 (Adapted Stein & Brown method)

Melting Pt (deg C): 324.26 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.01E-014 (Modified Grain method)

VP (Pa, 25 deg C) : 1.34E-012 (Modified Grain method)

Subcooled liquid VP: 2.41E-011 mm Hg (25 deg C, Mod-Grain method)

: 3.21E-009 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 1e+006

log Kow used: -8.64 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines-acid

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

Bond Method : 3.45E-030 atm-m3/mole (3.50E-025 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: 3.525E-021 atm-m3/mole (3.572E-016 Pa-m3/mole)

VP: 1.01E-014 mm Hg (source: MPBPVP)

WS: 1E+006 mg/L (source: WSKOWWIN)

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

Log Kow used: -8.64 (KowWin est)

Log Kaw used: -27.851 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 19.211

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0743

Biowin2 (Non-Linear Model) : 0.9398

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3911 (days-weeks )

Biowin4 (Primary Survey Model) : 4.3227 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4389

Biowin6 (MITI Non-Linear Model): 0.1599

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8988

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): 3.21E-009 Pa (2.41E-011 mm Hg)

Log Koa (Koawin est ): 19.211

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

Mackay model : 934

Octanol/air (Koa) model: 3.99E+006

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 = 80.9349 E-12 cm3/molecule-sec

Half-Life = 0.132 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.586 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

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 : 12.59 L/kg (MCI method)

Log Koc: 1.100 (MCI method)

Koc : 1.208E-005 L/kg (Kow method)

Log Koc: -4.918 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.776E+000 L/mol-sec

Kb Half-Life at pH 8: 4.516 days

Kb Half-Life at pH 7: 45.163 days

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -3.5857 days (HL = 0.0002596 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: -8.64 (estimated)

Volatilization from Water:

Henry LC: 3.45E-030 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.764E+026 hours (1.152E+025 days)

Half-Life from Model Lake : 3.015E+027 hours (1.256E+026 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 1.1e-017 3.17 1000

Water 27.2 208 1000

Soil 72.7 416 1000

Sediment 0.0599 1.87e+003 0

Persistence Time: 419 hr

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