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 Num: 000056-87-1
SMILES : O=C(O)C(N)CCCCN
CHEM : L-Lysine
MOL FOR: C6 H14 N2 O2
MOL WT : 146.19
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = -2.99
Log Kow (Exper. database match) = -3.05
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 445.86 (Adapted Stein & Brown method)
Melting Pt (deg C): 299.05 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.6E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 6.13E-007 (Modified Grain method)
MP (exp database): 224 deg C
VP (exp database): 5.28E-09 mm Hg (7.04E-007 Pa) at 25 deg C
Subcooled liquid VP: 4.91E-007 mm Hg (25 deg C, exp database VP )
: 6.54E-005 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2.7e+005
log Kow used: -3.05 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (20 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.59E-013 atm-m3/mole (3.64E-008 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: 3.277E-015 atm-m3/mole (3.321E-010 Pa-m3/mole)
VP: 4.6E-009 mm Hg (source: MPBPVP)
WS: 2.7E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -3.05 (exp database)
Log Kaw used: -10.833 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.783
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0583
Biowin2 (Non-Linear Model) : 0.9780
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2896 (days-weeks )
Biowin4 (Primary Survey Model) : 4.1089 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6720
Biowin6 (MITI Non-Linear Model): 0.6199
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.3155
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): 6.55E-005 Pa (4.91E-007 mm Hg)
Log Koa (Koawin est ): 7.783
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0458
Octanol/air (Koa) model: 1.49E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.623
Mackay model : 0.786
Octanol/air (Koa) model: 0.00119
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 74.0869 E-12 cm3/molecule-sec
Half-Life = 0.144 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.732 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.705 (Junge-Pankow, Mackay avg)
0.00119 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 0.02661 L/kg (Kow method)
Log Koc: -1.575 (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 v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.7500 days (HL = 0.01778 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)
log Kow used: -3.05 (expkow database)
Volatilization from Water:
Henry LC: 3.59E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.972E+009 hours (8.216E+007 days)
Half-Life from Model Lake : 2.151E+010 hours (8.963E+008 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 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 1.63e-005 3.47 1000
Water 28.1 208 1000
Soil 71.8 416 1000
Sediment 0.0592 1.87e+003 0
Persistence Time: 414 hr