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: 37478-68-5
SMILES : N(=C(N(C1)CCO)CCCCCCCCC)C1
CHEM : 1H-Imidazole-1-ethanol, 4,5-dihydro-2-nonyl-
MOL FOR: C14 H28 N2 O1
MOL WT : 240.39
------------------------------ 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) = 3.80
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 348.84 (Adapted Stein & Brown method)
Melting Pt (deg C): 119.35 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.54E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 8.72E-005 (Modified Grain method)
Subcooled liquid VP: 5.63E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000751 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 15.2
log Kow used: 3.80 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 61.792 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.59E-010 atm-m3/mole (6.68E-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: 1.361E-008 atm-m3/mole (1.379E-003 Pa-m3/mole)
VP: 6.54E-007 mm Hg (source: MPBPVP)
WS: 15.2 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.80 (KowWin est)
Log Kaw used: -7.570 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.370
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9003
Biowin2 (Non-Linear Model) : 0.9280
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1262 (weeks )
Biowin4 (Primary Survey Model) : 3.8994 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6921
Biowin6 (MITI Non-Linear Model): 0.7986
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5914
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): 0.000751 Pa (5.63E-006 mm Hg)
Log Koa (Koawin est ): 11.370
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.004
Octanol/air (Koa) model: 0.0575
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.126
Mackay model : 0.242
Octanol/air (Koa) model: 0.822
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 99.6254 E-12 cm3/molecule-sec
Half-Life = 0.107 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.288 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.184 (Junge-Pankow, Mackay avg)
0.822 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1029 L/kg (MCI method)
Log Koc: 3.012 (MCI method)
Koc : 355 L/kg (Kow method)
Log Koc: 2.550 (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 = 2.174 (BCF = 149.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3336 days (HL = 0.4639 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.181 (BCF = 151.5)
Log BAF Arnot-Gobas method (upper trophic) = 2.181 (BAF = 151.5)
log Kow used: 3.80 (estimated)
Volatilization from Water:
Henry LC: 6.59E-010 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.377E+006 hours (5.74E+004 days)
Half-Life from Model Lake : 1.503E+007 hours (6.261E+005 days)
Removal In Wastewater Treatment:
Total removal: 21.84 percent
Total biodegradation: 0.25 percent
Total sludge adsorption: 21.58 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 0.0126 2.58 1000
Water 16.7 360 1000
Soil 82.7 720 1000
Sediment 0.604 3.24e+003 0
Persistence Time: 757 hr