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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