This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
To Datasheet
CAS Number: 2699-79-8
SMILES : FS(F)(=O)=O
CHEM : Sulfuryl fluoride
MOL FOR: F2 O2 S1
MOL WT : 102.06
------------------------------ 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) = 0.41
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
*** WARNING: Inorganic Compound (Outside Estimate Domain) ***
*** WARNING: Estimations NOT VALID ***
Boiling Pt (deg C): 522.19 (Adapted Stein & Brown method)
Melting Pt (deg C): 206.55 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.38E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.25E+006 (Mean VP of Antoine & Grain methods)
MP (exp database): -135.82 deg C
BP (exp database): -55.38 deg C
VP (exp database): 1.28E+04 mm Hg (1.71E+006 Pa) at 21 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): 5.157e+004
log Kow used: 0.41 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 750 mg/L (25 deg C)
Exper. Ref: SHIU,WY ET AL. (1990)
Water Sol Estimate from Fragments:
*** WARNING: Inorganic Compound (Outside Estimation Domain)***
*** WARNING: Wat Sol Estimation NOT Valid ***
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Acid Halides
Inorganic Compound
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
*** WARNING: Inorganic Compound (Outside Estimation Domain) **
*** WARNING: Estimation NOT VALID **
Bond Method : 9.74E-004 atm-m3/mole (9.87E+001 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 1.36E-01 atm-m3/mole (1.38E+004 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.979E-003 atm-m3/mole (2.005E+002 Pa-m3/mole)
VP: 9.38E+003 mm Hg (source: MPBPVP)
WS: 5.16E+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: 0.41 (KowWin est)
Log Kaw used: 0.745 (exp database)
Log Koa (KOAWIN v1.10 estimate): -0.335
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) : 0.6990
Biowin2 (Non-Linear Model) : 0.8263
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9736 (weeks )
Biowin4 (Primary Survey Model) : 3.7005 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4433
Biowin6 (MITI Non-Linear Model): 0.0002
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): 1.71E+006 Pa (1.28E+004 mm Hg)
Log Koa (Koawin est ): -0.335
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.76E-012
Octanol/air (Koa) model: 1.14E-013
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.35E-011
Mackay model : 1.41E-010
Octanol/air (Koa) model: 9.08E-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):
1.02E-010 (Junge-Pankow, Mackay avg)
9.08E-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 : 2.21 L/kg (MCI method)
Log Koc: 0.344 (MCI method)
Koc : 20.57 L/kg (Kow method)
Log Koc: 1.313 (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) = -1.1213 days (HL = 0.07563 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.041 (BCF = 1.098)
Log BAF Arnot-Gobas method (upper trophic) = 0.041 (BAF = 1.098)
log Kow used: 0.41 (estimated)
Volatilization from Water:
Henry LC: 0.136 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.035 hours
Half-Life from Model Lake : 96 hours (4 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 98.14 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 0.28 percent
Total to Air: 97.84 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 56.7 1e+005 1000
Water 42.6 360 1000
Soil 0.611 720 1000
Sediment 0.0819 3.24e+003 0
Persistence Time: 144 hr