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CAS Number: 55852-14-7

SMILES : N1(CCCNC(=O)CCCCCCCCCCCCCCCCC)CCOCC1

CHEM : Propanoic acid, 2-hydroxy-, compd. with N-[3-(4-morpholinyl)propyl]oc

tadecanamide (1:1)

MOL FOR: C25 H50 N2 O2

MOL WT : 410.69

------------------------------ 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) = 6.96

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

Boiling Pt (deg C): 525.50 (Adapted Stein & Brown method)

Melting Pt (deg C): 224.51 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.5E-011 (Modified Grain method)

VP (Pa, 25 deg C) : 6E-009 (Modified Grain method)

Subcooled liquid VP: 6.18E-009 mm Hg (25 deg C, Mod-Grain method)

: 8.24E-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): 0.002974

log Kow used: 6.96 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.1402 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

Amides

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

Bond Method : 1.37E-011 atm-m3/mole (1.39E-006 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: 8.177E-009 atm-m3/mole (8.285E-004 Pa-m3/mole)

VP: 4.5E-011 mm Hg (source: MPBPVP)

WS: 0.00297 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.96 (KowWin est)

Log Kaw used: -9.252 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 16.212

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3180

Biowin2 (Non-Linear Model) : 0.0191

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2723 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4320 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5518

Biowin6 (MITI Non-Linear Model): 0.4340

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.4474

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): 8.24E-007 Pa (6.18E-009 mm Hg)

Log Koa (Koawin est ): 16.212

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

Mackay model : 3.64

Octanol/air (Koa) model: 4E+003

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.992

Mackay model : 0.997

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 188.1540 E-12 cm3/molecule-sec

Half-Life = 0.057 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.682 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.995 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.078E+005 L/kg (MCI method)

Log Koc: 5.318 (MCI method)

Koc : 3.921E+004 L/kg (Kow method)

Log Koc: 4.593 (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 = 2.887 (BCF = 770.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7278 days (HL = 0.1872 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.444 (BCF = 27.77)

Log BAF Arnot-Gobas method (upper trophic) = 1.450 (BAF = 28.16)

log Kow used: 6.96 (estimated)

Volatilization from Water:

Henry LC: 1.37E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 8.661E+007 hours (3.609E+006 days)

Half-Life from Model Lake : 9.448E+008 hours (3.937E+007 days)

Removal In Wastewater Treatment:

Total removal: 93.83 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.05 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 0.00971 1.36 1000

Water 5.68 900 1000

Soil 54.4 1.8e+003 1000

Sediment 39.9 8.1e+003 0

Persistence Time: 2.48e+003 hr

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