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CAS Number: 7782-49-2
SMILES : [Se]
CHEM : Selenium
MOL FOR: H2 Se1
MOL WT : 80.98
------------------------------ 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):
*** WARNING: Inorganic Compound (Outside Estimation Domain)
Log Kow (KOWWIN v1.68 estimate) = 0.24
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
*** WARNING: Inorganic Compound (Outside Estimate Domain) ***
*** WARNING: Estimations NOT VALID ***
Boiling Pt (deg C): 483.96 (Adapted Stein & Brown method)
Melting Pt (deg C): 194.06 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.67E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 8.9E+005 (Mean VP of Antoine & Grain methods)
MP (exp database): -65.73 deg C
BP (exp database): -41.3 deg C
VP (exp database): 9.12E+03 mm Hg (1.22E+006 Pa) at 31 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
Water Solubility at 25 deg C (mg/L): 8.142e+004
log Kow used: 0.24 (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) = 1.4374e+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 : 9.74E-003 atm-m3/mole (9.87E+002 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: 9.946E-004 atm-m3/mole (1.008E+002 Pa-m3/mole)
VP: 6.67E+003 mm Hg (source: MPBPVP)
WS: 8.14E+004 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: 0.24 (KowWin est)
Log Kaw used: -0.400 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 0.640
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) : 0.7090
Biowin2 (Non-Linear Model) : 0.8652
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0202 (weeks )
Biowin4 (Primary Survey Model) : 3.7309 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4712
Biowin6 (MITI Non-Linear Model): 0.5469
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8361
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 7.4E+005 Pa (5.55E+003 mm Hg)
Log Koa (Koawin est ): 0.640
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.05E-012
Octanol/air (Koa) model: 1.07E-012
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.46E-010
Mackay model : 3.24E-010
Octanol/air (Koa) model: 8.57E-011
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
*** WARNING: Inorganic Compound (Outside Estimation Domain)***
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 65.0000 E-12 cm3/molecule-sec
Half-Life = 0.165 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.975 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.35E-010 (Junge-Pankow, Mackay avg)
8.57E-011 (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 : 1.614 L/kg (Kow method)
Log Koc: 0.208 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.6713 days (HL = 0.02132 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.010 (BCF = 0.9776)
Log BAF Arnot-Gobas method (upper trophic) = -0.010 (BAF = 0.9776)
log Kow used: 0.24 (estimated)
Volatilization from Water:
Henry LC: 0.00974 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 0.9724 hours (58.34 min)
Half-Life from Model Lake : 86.06 hours (3.586 days)
Removal In Wastewater Treatment:
Total removal: 79.30 percent
Total biodegradation: 0.03 percent
Total sludge adsorption: 0.57 percent
Total to Air: 78.70 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 6.01 3.95 1000
Water 85.9 360 1000
Soil 7.85 720 1000
Sediment 0.205 3.24e+003 0
Persistence Time: 72.8 hr