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CAS Number: 75-75-2
SMILES : O=S(=O)(O)C
CHEM : Methanesulfonic acid
MOL FOR: C1 H4 O3 S1
MOL WT : 96.10
------------------------------ 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):
Log Kow (KOWWIN v1.68 estimate) = -2.38
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 216.66 (Adapted Stein & Brown method)
Melting Pt (deg C): 25.77 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0267 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 3.56 (Mean VP of Antoine & Grain methods)
MP (exp database): 20 deg C
BP (exp database): 167 @ 10 mm Hg deg C
VP (exp database): 4.28E-04 mm Hg (5.71E-002 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -2.38 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (20 deg C)
Exper. Ref: SEIDELL,A (1941)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.26E-008 atm-m3/mole (1.28E-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: 3.376E-009 atm-m3/mole (3.421E-004 Pa-m3/mole)
VP: 0.0267 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: -2.38 (KowWin est)
Log Kaw used: -6.288 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.908
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8102
Biowin2 (Non-Linear Model) : 0.9998
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1794 (weeks )
Biowin4 (Primary Survey Model) : 3.8862 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4267
Biowin6 (MITI Non-Linear Model): 0.4429
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7565
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): 0.0571 Pa (0.000428 mm Hg)
Log Koa (Koawin est ): 3.908
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.26E-005
Octanol/air (Koa) model: 1.99E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0019
Mackay model : 0.00419
Octanol/air (Koa) model: 1.59E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.2760 E-12 cm3/molecule-sec
Half-Life = 38.754 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00304 (Junge-Pankow, Mackay avg)
1.59E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1 L/kg (MCI method)
Log Koc: 0.000 (MCI method)
Koc : 0.4061 L/kg (Kow method)
Log Koc: -0.391 (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) = -2.2704 days (HL = 0.005365 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8931)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8931)
log Kow used: -2.38 (estimated)
Volatilization from Water:
Henry LC: 1.26E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4.555E+004 hours (1898 days)
Half-Life from Model Lake : 4.97E+005 hours (2.071E+004 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 0.287 930 1000
Water 38 360 1000
Soil 61.7 720 1000
Sediment 0.0711 3.24e+003 0
Persistence Time: 576 hr