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: 61790-18-9
SMILES : NCCCCCCCCC=CCC=CCCCCC
CHEM : Amines, soya alkyl
MOL FOR: C18 H35 N1
MOL WT : 265.49
------------------------------ 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) = 7.28
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 349.13 (Adapted Stein & Brown method)
Melting Pt (deg C): 91.38 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.17E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00423 (Modified Grain method)
Subcooled liquid VP: 0.000138 mm Hg (25 deg C, Mod-Grain method)
: 0.0185 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.1197
log Kow used: 7.28 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.075498 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.24E-004 atm-m3/mole (7.34E+001 Pa-m3/mole)
Group Method: 1.51E-004 atm-m3/mole (1.53E+001 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: 9.251E-005 atm-m3/mole (9.374E+000 Pa-m3/mole)
VP: 3.17E-005 mm Hg (source: MPBPVP)
WS: 0.12 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.28 (KowWin est)
Log Kaw used: -1.529 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.809
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8834
Biowin2 (Non-Linear Model) : 0.8996
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9353 (weeks )
Biowin4 (Primary Survey Model) : 3.7771 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6232
Biowin6 (MITI Non-Linear Model): 0.5729
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6598
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): 0.0184 Pa (0.000138 mm Hg)
Log Koa (Koawin est ): 8.809
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000163
Octanol/air (Koa) model: 0.000158
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00585
Mackay model : 0.0129
Octanol/air (Koa) model: 0.0125
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 160.3362 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 175.5362 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 0.801 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 0.731 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 26.000000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 40.000000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 1.058 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 0.688 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.00937 (Junge-Pankow, Mackay avg)
0.0125 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.971E+005 L/kg (MCI method)
Log Koc: 5.295 (MCI method)
Koc : 8.513E+004 L/kg (Kow method)
Log Koc: 4.930 (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 = 3.390 (BCF = 2456 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.4154 days (HL = 26.03 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.240 (BCF = 1739)
Log BAF Arnot-Gobas method (upper trophic) = 5.553 (BAF = 3.571e+005)
log Kow used: 7.28 (estimated)
Volatilization from Water:
Henry LC: 0.000151 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 7.98 hours
Half-Life from Model Lake : 223.7 hours (9.32 days)
Removal In Wastewater Treatment:
Total removal: 93.94 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.15 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0517 0.637 1000
Water 13 360 1000
Soil 53.3 720 1000
Sediment 33.7 3.24e+003 0
Persistence Time: 650 hr