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: 142-54-1
SMILES : O=C(NCC(O)C)CCCCCCCCCCC
CHEM : Dodecanamide, N-(2-hydroxypropyl)-
MOL FOR: C15 H31 N1 O2
MOL WT : 257.42
------------------------------ 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) = 3.66
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 405.34 (Adapted Stein & Brown method)
Melting Pt (deg C): 153.56 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.29E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 8.39E-007 (Modified Grain method)
Subcooled liquid VP: 1.29E-007 mm Hg (25 deg C, Mod-Grain method)
: 1.72E-005 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 16.15
log Kow used: 3.66 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 119.1 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.69E-011 atm-m3/mole (2.73E-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: 1.319E-010 atm-m3/mole (1.337E-005 Pa-m3/mole)
VP: 6.29E-009 mm Hg (source: MPBPVP)
WS: 16.1 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.66 (KowWin est)
Log Kaw used: -8.959 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.619
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.1023
Biowin2 (Non-Linear Model) : 0.9933
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0344 (weeks )
Biowin4 (Primary Survey Model) : 4.0803 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7278
Biowin6 (MITI Non-Linear Model): 0.8386
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0441
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): 1.72E-005 Pa (1.29E-007 mm Hg)
Log Koa (Koawin est ): 12.619
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.174
Octanol/air (Koa) model: 1.02
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.863
Mackay model : 0.933
Octanol/air (Koa) model: 0.988
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 35.4186 E-12 cm3/molecule-sec
Half-Life = 0.302 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.624 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.898 (Junge-Pankow, Mackay avg)
0.988 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 361.3 L/kg (MCI method)
Log Koc: 2.558 (MCI method)
Koc : 325.5 L/kg (Kow method)
Log Koc: 2.513 (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 = 2.081 (BCF = 120.5 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.1303 days (HL = 0.07408 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.477 (BCF = 30.01)
Log BAF Arnot-Gobas method (upper trophic) = 1.477 (BAF = 30.01)
log Kow used: 3.66 (estimated)
Volatilization from Water:
Henry LC: 2.69E-011 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.492E+007 hours (1.455E+006 days)
Half-Life from Model Lake : 3.81E+008 hours (1.587E+007 days)
Removal In Wastewater Treatment:
Total removal: 17.21 percent
Total biodegradation: 0.22 percent
Total sludge adsorption: 17.00 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 0.00408 7.25 1000
Water 17 360 1000
Soil 82.7 720 1000
Sediment 0.257 3.24e+003 0
Persistence Time: 770 hr