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CAS Num: 003184-13-2
SMILES : NCCCC(N)C(=O)O
CHEM : L-Ornithine, monohydrochloride
MOL FOR: C5 H12 N2 O2
MOL WT : 132.16
------------------------------ 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) = -3.48
Log Kow (Exper. database match) = -4.22
Exper. Ref: SANGSTER (1994)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 434.26 (Adapted Stein & Brown method)
Melting Pt (deg C): 297.36 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 8.32E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 1.11E-005 (Modified Grain method)
MP (exp database): 140 deg C
Subcooled liquid VP: 1.21E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000161 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -4.22 (expkow database)
no-melting pt equation used
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 : 2.71E-013 atm-m3/mole (2.74E-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: 1.447E-014 atm-m3/mole (1.466E-009 Pa-m3/mole)
VP: 8.32E-008 mm Hg (source: MPBPVP)
WS: 1E+006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -4.22 (exp database)
Log Kaw used: -10.955 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.735
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0650
Biowin2 (Non-Linear Model) : 0.9819
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.3206 (days-weeks )
Biowin4 (Primary Survey Model) : 4.1292 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6643
Biowin6 (MITI Non-Linear Model): 0.6141
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.2896
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): 0.000161 Pa (1.21E-006 mm Hg)
Log Koa (Koawin est ): 6.735
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0186
Octanol/air (Koa) model: 1.33E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.402
Mackay model : 0.598
Octanol/air (Koa) model: 0.000107
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 72.6739 E-12 cm3/molecule-sec
Half-Life = 0.147 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.766 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.5 (Junge-Pankow, Mackay avg)
0.000107 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.357 L/kg (MCI method)
Log Koc: 0.729 (MCI method)
Koc : 0.005997 L/kg (Kow method)
Log Koc: -2.222 (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) = -2.0979 days (HL = 0.007983 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: -4.22 (expkow database)
Volatilization from Water:
Henry LC: 2.71E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.484E+009 hours (1.035E+008 days)
Half-Life from Model Lake : 2.709E+010 hours (1.129E+009 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 9.34e-006 3.53 1000
Water 30.3 208 1000
Soil 69.6 416 1000
Sediment 0.0586 1.87e+003 0
Persistence Time: 404 hr