This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 141-21-9
SMILES : O=C(NCCNCCO)CCCCCCCCCCCCCCCCC
CHEM : Octadecanamide, N- 2- (2-hydroxyethyl)amino ethyl -
MOL FOR: C22 H46 N2 O2
MOL WT : 370.62
------------------------------ 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) = 5.67
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 519.01 (Adapted Stein & Brown method)
Melting Pt (deg C): 221.48 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.87E-013 (Modified Grain method)
VP (Pa, 25 deg C) : 5.16E-011 (Modified Grain method)
Subcooled liquid VP: 4.88E-011 mm Hg (25 deg C, Mod-Grain method)
: 6.51E-009 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.06629
log Kow used: 5.67 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.4351 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 : 3.33E-014 atm-m3/mole (3.37E-009 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: 2.847E-012 atm-m3/mole (2.885E-007 Pa-m3/mole)
VP: 3.87E-013 mm Hg (source: MPBPVP)
WS: 0.0663 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.67 (KowWin est)
Log Kaw used: -11.866 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 17.536
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.2022
Biowin2 (Non-Linear Model) : 0.9891
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8087 (weeks )
Biowin4 (Primary Survey Model) : 3.9602 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.9193
Biowin6 (MITI Non-Linear Model): 0.8850
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7008
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): 6.51E-009 Pa (4.88E-011 mm Hg)
Log Koa (Koawin est ): 17.536
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 461
Octanol/air (Koa) model: 8.43E+004
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 = 123.7668 E-12 cm3/molecule-sec
Half-Life = 0.086 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.037 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 : 1.963E+004 L/kg (MCI method)
Log Koc: 4.293 (MCI method)
Koc : 3808 L/kg (Kow method)
Log Koc: 3.581 (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 = 2.036 (BCF = 108.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2308 days (HL = 0.5878 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.355 (BCF = 226.4)
Log BAF Arnot-Gobas method (upper trophic) = 2.359 (BAF = 228.4)
log Kow used: 5.67 (estimated)
Volatilization from Water:
Henry LC: 3.33E-014 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.385E+010 hours (1.41E+009 days)
Half-Life from Model Lake : 3.693E+011 hours (1.539E+010 days)
Removal In Wastewater Treatment:
Total removal: 90.08 percent
Total biodegradation: 0.76 percent
Total sludge adsorption: 89.33 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 0.0131 2.07 1000
Water 14.7 360 1000
Soil 77.1 720 1000
Sediment 8.2 3.24e+003 0
Persistence Time: 809 hr