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CAS Number: 7704-34-9
SMILES : S
CHEM : SULFUR
MOL FOR: H2 S1
MOL WT : 34.08
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 0.23
Log Kow (Exper. database match) = -1.38
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
*** WARNING: Inorganic Compound (Outside Estimate Domain) ***
*** WARNING: Estimations NOT VALID ***
Boiling Pt (deg C): 473.12 (Adapted Stein & Brown method)
Melting Pt (deg C): 173.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.81E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 5.08E-007 (Modified Grain method)
Subcooled liquid VP: 1.3E-007 mm Hg (25 deg C, Mod-Grain method)
: 1.74E-005 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -1.38 (expkow database)
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) = 60488 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Inorganic Compound
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
*** WARNING: Inorganic Compound (Outside Estimation Domain) **
*** WARNING: Estimation NOT VALID **
Bond Method : 8.69E-003 atm-m3/mole (8.81E+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: 1.708E-016 atm-m3/mole (1.731E-011 Pa-m3/mole)
VP: 3.81E-009 mm Hg (source: MPBPVP)
WS: 1E+006 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: -1.38 (exp database)
Log Kaw used: -0.449 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): -0.931
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) : 0.7313
Biowin2 (Non-Linear Model) : 0.9259
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1239 (weeks )
Biowin4 (Primary Survey Model) : 3.7986 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6108
Biowin6 (MITI Non-Linear Model): 0.8237
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): 1.73E-005 Pa (1.3E-007 mm Hg)
Log Koa (Koawin est ): -0.931
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.173
Octanol/air (Koa) model: 2.88E-014
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.862
Mackay model : 0.933
Octanol/air (Koa) model: 2.3E-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):
0.897 (Junge-Pankow, Mackay avg)
2.3E-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 : 0.06337 L/kg (Kow method)
Log Koc: -1.198 (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) = -2.0486 days (HL = 0.008942 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8942)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8942)
log Kow used: -1.38 (expkow database)
Volatilization from Water:
Henry LC: 0.00869 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 0.635 hours (38.10 min)
Half-Life from Model Lake : 55.88 hours (2.328 days)
Removal In Wastewater Treatment:
Total removal: 77.40 percent
Total biodegradation: 0.03 percent
Total sludge adsorption: 0.59 percent
Total to Air: 76.77 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 33.2 1e+005 1000
Water 48.4 360 1000
Soil 18.2 720 1000
Sediment 0.116 3.24e+003 0
Persistence Time: 203 hr