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: 10213-78-2
SMILES : OCCN(CCCCCCCCCCCCCCCCCC)CCO
CHEM : Ethanol, 2,2 -(octadecylimino)bis-
MOL FOR: C22 H47 N1 O2
MOL WT : 357.63
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 6.85
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 455.81 (Adapted Stein & Brown method)
Melting Pt (deg C): 174.54 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.16E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 5.55E-009 (Modified Grain method)
Subcooled liquid VP: 1.48E-009 mm Hg (25 deg C, Mod-Grain method)
: 1.97E-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): 0.08076
log Kow used: 6.85 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.23484 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.06E-008 atm-m3/mole (1.08E-003 Pa-m3/mole)
Group Method: 7.39E-012 atm-m3/mole (7.48E-007 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 2.424E-010 atm-m3/mole (2.456E-005 Pa-m3/mole)
VP: 4.16E-011 mm Hg (source: MPBPVP)
WS: 0.0808 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.85 (KowWin est)
Log Kaw used: -6.363 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 13.213
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7979
Biowin2 (Non-Linear Model) : 0.4469
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7723 (weeks )
Biowin4 (Primary Survey Model) : 3.5717 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.9238
Biowin6 (MITI Non-Linear Model): 0.9175
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1752
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): 1.97E-007 Pa (1.48E-009 mm Hg)
Log Koa (Koawin est ): 13.213
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 15.2
Octanol/air (Koa) model: 4.01
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.998
Mackay model : 0.999
Octanol/air (Koa) model: 0.997
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 128.8856 E-12 cm3/molecule-sec
Half-Life = 0.083 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.996 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.999 (Junge-Pankow, Mackay avg)
0.997 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5778 L/kg (MCI method)
Log Koc: 3.762 (MCI method)
Koc : 6696 L/kg (Kow method)
Log Koc: 3.826 (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 = 2.810 (BCF = 645.5 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4689 days (HL = 0.3397 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.768 (BCF = 58.61)
Log BAF Arnot-Gobas method (upper trophic) = 1.784 (BAF = 60.8)
log Kow used: 6.85 (estimated)
Volatilization from Water:
Henry LC: 1.06E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.045E+005 hours (4352 days)
Half-Life from Model Lake : 1.14E+006 hours (4.749E+004 days)
Removal In Wastewater Treatment:
Total removal: 93.77 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 92.99 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 0.172 1.99 1000
Water 22.8 360 1000
Soil 74 720 1000
Sediment 2.98 3.24e+003 0
Persistence Time: 500 hr