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CAS Number: 61901-01-7

SMILES : OC(=O)CCN(CCO)CCNC(=O)CCCCCCCCCCC

CHEM :

MOL FOR: C19 H38 N2 O4

MOL WT : 358.53

------------------------------ 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) = 2.68

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

Boiling Pt (deg C): 578.16 (Adapted Stein & Brown method)

Melting Pt (deg C): 318.36 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.55E-016 (Modified Grain method)

VP (Pa, 25 deg C) : 4.73E-014 (Modified Grain method)

Subcooled liquid VP: 7.13E-013 mm Hg (25 deg C, Mod-Grain method)

: 9.51E-011 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 28.09

log Kow used: 2.68 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3385.2 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines-acid

Amides -acid

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

Bond Method : 1.32E-019 atm-m3/mole (1.33E-014 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: 5.962E-018 atm-m3/mole (6.041E-013 Pa-m3/mole)

VP: 3.55E-016 mm Hg (source: MPBPVP)

WS: 28.1 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.68 (KowWin est)

Log Kaw used: -17.268 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 19.948

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9216

Biowin2 (Non-Linear Model) : 0.8798

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9208 (weeks )

Biowin4 (Primary Survey Model) : 4.0320 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8207

Biowin6 (MITI Non-Linear Model): 0.7776

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4686

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): 9.51E-011 Pa (7.13E-013 mm Hg)

Log Koa (Koawin est ): 19.948

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

Mackay model : 3.16E+004

Octanol/air (Koa) model: 2.18E+007

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 = 130.3542 E-12 cm3/molecule-sec

Half-Life = 0.082 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.985 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 : 121.3 L/kg (MCI method)

Log Koc: 2.084 (MCI method)

Koc : 13.67 L/kg (Kow method)

Log Koc: 1.136 (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) = -2.0248 days (HL = 0.009445 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.606 (BCF = 4.037)

Log BAF Arnot-Gobas method (upper trophic) = 0.606 (BAF = 4.037)

log Kow used: 2.68 (estimated)

Volatilization from Water:

Henry LC: 1.32E-019 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 8.399E+015 hours (3.499E+014 days)

Half-Life from Model Lake : 9.162E+016 hours (3.818E+015 days)

Removal In Wastewater Treatment:

Total removal: 3.73 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 3.62 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 7.63e-006 1.97 1000

Water 18.8 360 1000

Soil 81 720 1000

Sediment 0.125 3.24e+003 0

Persistence Time: 751 hr

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