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: 56863-02-6
SMILES : O=C(N(CCO)CCO)CCCCCCCC=CCC=CCCCCC
CHEM : 9,12-Octadecadienamide, N,N-bis(2-hydroxyethyl)-, (Z,Z)-
MOL FOR: C22 H41 N1 O3
MOL WT : 367.58
------------------------------ 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) = 5.40
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 507.41 (Adapted Stein & Brown method)
Melting Pt (deg C): 204.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.45E-013 (Modified Grain method)
VP (Pa, 25 deg C) : 5.93E-011 (Modified Grain method)
Subcooled liquid VP: 3.49E-011 mm Hg (25 deg C, Mod-Grain method)
: 4.66E-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): 0.1181
log Kow used: 5.40 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.3268 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.15E-012 atm-m3/mole (9.27E-007 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: 1.822E-012 atm-m3/mole (1.847E-007 Pa-m3/mole)
VP: 4.45E-013 mm Hg (source: MPBPVP)
WS: 0.118 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.40 (KowWin est)
Log Kaw used: -9.427 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 14.827
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.2086
Biowin2 (Non-Linear Model) : 0.9896
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9509 (weeks )
Biowin4 (Primary Survey Model) : 4.0508 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8833
Biowin6 (MITI Non-Linear Model): 0.8598
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2582
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): 4.65E-009 Pa (3.49E-011 mm Hg)
Log Koa (Koawin est ): 14.827
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 645
Octanol/air (Koa) model: 165
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 = 163.9101 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 179.1101 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 0.783 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 0.717 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 26.000000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 40.000000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 1.058 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 0.688 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Reaction With Nitrate Radicals May Be Important!
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 : 1448 L/kg (MCI method)
Log Koc: 3.161 (MCI method)
Koc : 1101 L/kg (Kow method)
Log Koc: 3.042 (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 = 1.857 (BCF = 71.89 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4762 days (HL = 0.334 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.131 (BCF = 135.2)
Log BAF Arnot-Gobas method (upper trophic) = 2.132 (BAF = 135.4)
log Kow used: 5.40 (estimated)
Volatilization from Water:
Henry LC: 9.15E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.227E+008 hours (5.112E+006 days)
Half-Life from Model Lake : 1.338E+009 hours (5.576E+007 days)
Removal In Wastewater Treatment:
Total removal: 86.88 percent
Total biodegradation: 0.74 percent
Total sludge adsorption: 86.15 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 0.0613 0.631 1000
Water 24.2 360 1000
Soil 74.6 720 1000
Sediment 1.17 3.24e+003 0
Persistence Time: 475 hr