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: 56255-31-3
SMILES : CCCCCCCCCCCCCCCC(=O)NC(C)C(=O)O
CHEM :
MOL FOR: C19 H37 N1 O3
MOL WT : 327.51
------------------------------ 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) = 6.27
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 482.89 (Adapted Stein & Brown method)
Melting Pt (deg C): 204.61 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.32E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 1.24E-007 (Modified Grain method)
Subcooled liquid VP: 7.41E-008 mm Hg (25 deg C, Mod-Grain method)
: 9.88E-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): 0.03733
log Kow used: 6.27 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.4092 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides -acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.55E-010 atm-m3/mole (2.59E-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: 1.076E-008 atm-m3/mole (1.090E-003 Pa-m3/mole)
VP: 9.32E-010 mm Hg (source: MPBPVP)
WS: 0.0373 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.27 (KowWin est)
Log Kaw used: -7.982 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 14.252
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9829
Biowin2 (Non-Linear Model) : 0.9717
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0841 (weeks )
Biowin4 (Primary Survey Model) : 4.2353 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6876
Biowin6 (MITI Non-Linear Model): 0.7395
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1761
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): 9.88E-006 Pa (7.41E-008 mm Hg)
Log Koa (Koawin est ): 14.252
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.304
Octanol/air (Koa) model: 43.9
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.916
Mackay model : 0.96
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 34.3544 E-12 cm3/molecule-sec
Half-Life = 0.311 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.736 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.938 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3219 L/kg (MCI method)
Log Koc: 3.508 (MCI method)
Koc : 3965 L/kg (Kow method)
Log Koc: 3.598 (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 = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0071 days (HL = 1.016 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.487 (BCF = 306.8)
Log BAF Arnot-Gobas method (upper trophic) = 2.528 (BAF = 337)
log Kow used: 6.27 (estimated)
Volatilization from Water:
Henry LC: 2.55E-010 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4.155E+006 hours (1.731E+005 days)
Half-Life from Model Lake : 4.533E+007 hours (1.889E+006 days)
Removal In Wastewater Treatment:
Total removal: 93.02 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 92.24 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 0.0649 7.47 1000
Water 16.6 360 1000
Soil 81.8 720 1000
Sediment 1.54 3.24e+003 0
Persistence Time: 745 hr