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: 143-27-1
SMILES : NCCCCCCCCCCCCCCCC
CHEM : 1-Hexadecanamine
MOL FOR: C16 H35 N1
MOL WT : 241.46
------------------------------ 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) = 6.73
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 316.42 (Adapted Stein & Brown method)
Melting Pt (deg C): 75.64 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000371 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0494 (Modified Grain method)
MP (exp database): 46.8 deg C
BP (exp database): 322.5 deg C
VP (exp database): 1.33E-04 mm Hg (1.77E-002 Pa) at 25 deg C
Subcooled liquid VP: 0.000219 mm Hg (25 deg C, exp database VP )
: 0.0291 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.4823
log Kow used: 6.73 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.16639 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.31E-004 atm-m3/mole (5.38E+001 Pa-m3/mole)
Group Method: 1.09E-003 atm-m3/mole (1.11E+002 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: 2.444E-004 atm-m3/mole (2.476E+001 Pa-m3/mole)
VP: 0.000371 mm Hg (source: MPBPVP)
WS: 0.482 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.73 (KowWin est)
Log Kaw used: -1.663 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.393
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8949
Biowin2 (Non-Linear Model) : 0.9265
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9883 (weeks )
Biowin4 (Primary Survey Model) : 3.8117 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7687
Biowin6 (MITI Non-Linear Model): 0.8497
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.0059
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): 0.0292 Pa (0.000219 mm Hg)
Log Koa (Koawin est ): 8.393
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000103
Octanol/air (Koa) model: 6.07E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0037
Mackay model : 0.00815
Octanol/air (Koa) model: 0.00483
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 51.3698 E-12 cm3/molecule-sec
Half-Life = 0.208 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.499 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00592 (Junge-Pankow, Mackay avg)
0.00483 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.935E+004 L/kg (MCI method)
Log Koc: 4.773 (MCI method)
Koc : 4.225E+004 L/kg (Kow method)
Log Koc: 4.626 (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 = 2.732 (BCF = 539.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.9603 days (HL = 9.127 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.212 (BCF = 1630)
Log BAF Arnot-Gobas method (upper trophic) = 4.428 (BAF = 2.682e+004)
log Kow used: 6.73 (estimated)
Volatilization from Water:
Henry LC: 0.00109 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 2.42 hours
Half-Life from Model Lake : 156.7 hours (6.529 days)
Removal In Wastewater Treatment:
Total removal: 93.71 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 92.77 percent
Total to Air: 0.17 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.58 5 1000
Water 13.8 360 1000
Soil 67.7 720 1000
Sediment 17.9 3.24e+003 0
Persistence Time: 510 hr