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: 007440-02-0
SMILES : [Ni]
CHEM : Nickel
MOL FOR: Ni1
MOL WT : 58.69
------------------------------ 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):
*** WARNING: Inorganic Compound (Outside Estimation Domain)
Log Kow (KOWWIN v1.67 estimate) = -0.57
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
*** WARNING: Inorganic Compound (Outside Estimate Domain) ***
*** WARNING: Estimations NOT VALID ***
Boiling Pt (deg C): 482.98 (Adapted Stein & Brown method)
Melting Pt (deg C): 188.60 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.24E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 5.65E-007 (Modified Grain method)
Subcooled liquid VP: 2.19E-007 mm Hg (25 deg C, Mod-Grain method)
: 2.92E-005 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
Water Solubility at 25 deg C (mg/L): 4.216e+005
log Kow used: -0.57 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
*** WARNING: Inorganic Compound (Outside Estimation Domain)***
*** WARNING: Wat Sol Estimation NOT Valid ***
Wat Sol (v1.01 est) = 1.0419e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
*** WARNING: Inorganic Compound (Outside Estimation Domain) **
*** WARNING: Estimation NOT VALID **
Bond Method : 2.45E-002 atm-m3/mole (2.48E+003 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: 7.766E-016 atm-m3/mole (7.869E-011 Pa-m3/mole)
VP: 4.24E-009 mm Hg (source: MPBPVP)
WS: 4.22E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
*** WARNING: Estimation NOT VALID ***
Log Kow used: -0.57 (KowWin est)
Log Kaw used: 0.001 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): -0.571
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
*** WARNING: Estimation NOT VALID ***
Biowin1 (Linear Model) : 0.7196
Biowin2 (Non-Linear Model) : 0.8980
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0695 (weeks )
Biowin4 (Primary Survey Model) : 3.7631 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5375
Biowin6 (MITI Non-Linear Model): 0.6966
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8361
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): 2.92E-005 Pa (2.19E-007 mm Hg)
Log Koa (Koawin est ): -0.571
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.103
Octanol/air (Koa) model: 6.59E-014
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.788
Mackay model : 0.892
Octanol/air (Koa) model: 5.27E-012
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
*** WARNING: Inorganic Compound (Outside Estimation Domain)***
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec
Half-Life = -------
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.84 (Junge-Pankow, Mackay avg)
5.27E-012 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
*** WARNING: Inorganic Coumpound (Outside Estimation Domain) **
*** WARNING: Estimation NOT VALID **
Koc : 13.22 L/kg (MCI method)
Log Koc: 1.121 (MCI method)
Koc : 0.3198 L/kg (Kow method)
Log Koc: -0.495 (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) = -1.8631 days (HL = 0.01371 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.044 (BCF = 0.9032)
Log BAF Arnot-Gobas method (upper trophic) = -0.044 (BAF = 0.9032)
log Kow used: -0.57 (estimated)
Volatilization from Water:
Henry LC: 0.0245 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 0.8001 hours (48.00 min)
Half-Life from Model Lake : 72.97 hours (3.04 days)
Removal In Wastewater Treatment:
Total removal: 90.51 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 0.39 percent
Total to Air: 90.09 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 38.8 1e+005 1000
Water 52.5 360 1000
Soil 8.59 720 1000
Sediment 0.125 3.24e+003 0
Persistence Time: 182 hr