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: 3397-14-6
SMILES : CCCCCCCCCCCCCCCC(=O)NC(CC(=O)OCC)C(=O)OCC
CHEM :
MOL FOR: C24 H45 N1 O5
MOL WT : 427.63
------------------------------ 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) = 7.16
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 505.65 (Adapted Stein & Brown method)
Melting Pt (deg C): 201.22 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.72E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 3.63E-008 (Modified Grain method)
Subcooled liquid VP: 1.97E-008 mm Hg (25 deg C, Mod-Grain method)
: 2.63E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.001582
log Kow used: 7.16 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.020101 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.43E-010 atm-m3/mole (3.48E-005 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: 9.674E-008 atm-m3/mole (9.802E-003 Pa-m3/mole)
VP: 2.72E-010 mm Hg (source: MPBPVP)
WS: 0.00158 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.16 (KowWin est)
Log Kaw used: -7.853 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 15.013
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.2109
Biowin2 (Non-Linear Model) : 0.9999
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7787 (weeks )
Biowin4 (Primary Survey Model) : 4.1632 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.0447
Biowin6 (MITI Non-Linear Model): 0.9615
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3314
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): 2.63E-006 Pa (1.97E-008 mm Hg)
Log Koa (Koawin est ): 15.013
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.14
Octanol/air (Koa) model: 253
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.976
Mackay model : 0.989
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 34.4140 E-12 cm3/molecule-sec
Half-Life = 0.311 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.730 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.983 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.226E+004 L/kg (MCI method)
Log Koc: 4.347 (MCI method)
Koc : 5.355E+004 L/kg (Kow method)
Log Koc: 4.729 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 6.056E-002 L/mol-sec
Kb Half-Life at pH 8: 132.459 days
Kb Half-Life at pH 7: 3.627 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.449 (BCF = 2812 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.5599 days (HL = 0.02755 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.578 (BCF = 3.78)
Log BAF Arnot-Gobas method (upper trophic) = 0.578 (BAF = 3.782)
log Kow used: 7.16 (estimated)
Volatilization from Water:
Henry LC: 3.43E-010 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.53E+006 hours (1.471E+005 days)
Half-Life from Model Lake : 3.851E+007 hours (1.604E+006 days)
Removal In Wastewater Treatment:
Total removal: 93.90 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.13 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 0.193 7.46 1000
Water 16.9 360 1000
Soil 76.5 720 1000
Sediment 6.41 3.24e+003 0
Persistence Time: 692 hr