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: 35627-96-4
SMILES : O=C(NCC(O)C)CCCCCCCCCCCCCCCCC
CHEM : Octadecanamide, N-(2-hydroxypropyl)-
MOL FOR: C21 H43 N1 O2
MOL WT : 341.58
------------------------------ 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) = 6.61
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 474.97 (Adapted Stein & Brown method)
Melting Pt (deg C): 193.50 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.83E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 2.44E-009 (Modified Grain method)
Subcooled liquid VP: 1.08E-009 mm Hg (25 deg C, Mod-Grain method)
: 1.44E-007 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.01592
log Kow used: 6.61 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.094765 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.47E-010 atm-m3/mole (1.49E-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: 5.166E-010 atm-m3/mole (5.235E-005 Pa-m3/mole)
VP: 1.83E-011 mm Hg (source: MPBPVP)
WS: 0.0159 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.61 (KowWin est)
Log Kaw used: -8.221 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 14.831
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0622
Biowin2 (Non-Linear Model) : 0.9784
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8484 (weeks )
Biowin4 (Primary Survey Model) : 3.9589 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7739
Biowin6 (MITI Non-Linear Model): 0.8576
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2001
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): 1.44E-007 Pa (1.08E-009 mm Hg)
Log Koa (Koawin est ): 14.831
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 20.8
Octanol/air (Koa) model: 166
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.999
Mackay model : 0.999
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 43.8969 E-12 cm3/molecule-sec
Half-Life = 0.244 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.924 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.999 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.324E+004 L/kg (MCI method)
Log Koc: 4.122 (MCI method)
Koc : 1.394E+004 L/kg (Kow method)
Log Koc: 4.144 (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 = 2.651 (BCF = 447.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2954 days (HL = 0.5065 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.066 (BCF = 116.3)
Log BAF Arnot-Gobas method (upper trophic) = 2.087 (BAF = 122.2)
log Kow used: 6.61 (estimated)
Volatilization from Water:
Henry LC: 1.47E-010 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 7.361E+006 hours (3.067E+005 days)
Half-Life from Model Lake : 8.03E+007 hours (3.346E+006 days)
Removal In Wastewater Treatment:
Total removal: 93.57 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 92.79 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 0.33 5.85 1000
Water 19.6 360 1000
Soil 73.6 720 1000
Sediment 6.4 3.24e+003 0
Persistence Time: 581 hr