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: 68814-69-7
SMILES : CCCCCCCCC=CCCCCCCCCN(C)C
CHEM : Amines, dimethyltallow alkyl
MOL FOR: C20 H41 N1
MOL WT : 295.56
------------------------------ 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) = 8.17
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 349.27 (Adapted Stein & Brown method)
Melting Pt (deg C): 79.83 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.13E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0055 (Modified Grain method)
Subcooled liquid VP: 0.000137 mm Hg (25 deg C, Mod-Grain method)
: 0.0183 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.01393
log Kow used: 8.17 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0086273 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.97E-003 atm-m3/mole (4.02E+002 Pa-m3/mole)
Group Method: 1.02E-002 atm-m3/mole (1.03E+003 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: 1.153E-003 atm-m3/mole (1.168E+002 Pa-m3/mole)
VP: 4.13E-005 mm Hg (source: MPBPVP)
WS: 0.0139 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.17 (KowWin est)
Log Kaw used: -0.790 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.960
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5100
Biowin2 (Non-Linear Model) : 0.1726
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5896 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4024 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5029
Biowin6 (MITI Non-Linear Model): 0.4283
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5524
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.0183 Pa (0.000137 mm Hg)
Log Koa (Koawin est ): 8.960
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000164
Octanol/air (Koa) model: 0.000224
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0059
Mackay model : 0.013
Octanol/air (Koa) model: 0.0176
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 154.7709 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 162.3709 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 0.829 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 0.790 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.00943 (Junge-Pankow, Mackay avg)
0.0176 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.067E+005 L/kg (MCI method)
Log Koc: 5.315 (MCI method)
Koc : 2.392E+005 L/kg (Kow method)
Log Koc: 5.379 (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 = 2.953 (BCF = 897.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.7637 days (HL = 5.804 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.871 (BCF = 74.26)
Log BAF Arnot-Gobas method (upper trophic) = 3.548 (BAF = 3533)
log Kow used: 8.17 (estimated)
Volatilization from Water:
Henry LC: 0.0102 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.853 hours
Half-Life from Model Lake : 164.4 hours (6.849 days)
Removal In Wastewater Treatment:
Total removal: 94.03 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.20 percent
Total to Air: 0.05 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0417 0.93 1000
Water 12.5 900 1000
Soil 69.8 1.8e+003 1000
Sediment 17.7 8.1e+003 0
Persistence Time: 1.21e+003 hr