## mesylate anion CH_{3}O_{3}S structure

Molecular Formula | CH_{3}O_{3}S |

Average mass | 95.098 Da |

Density | |

Boiling Point | |

Flash Point | |

Molar Refractivity | |

Polarizability | |

Surface Tension | |

Molar Volume |

**Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module**

Density: | |

Boiling Point: | |

Vapour Pressure: | |

Enthalpy of Vaporization: | |

Flash Point: | |

Index of Refraction: | |

Molar Refractivity: | |

#H bond acceptors: | 3 |

#H bond donors: | 1 |

#Freely Rotating Bonds: | 0 |

#Rule of 5 Violations: | 0 |

**Predicted data is generated using the US Environmental Protection Agency’s EPISuite™**

Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -2.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): 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) MP (exp database): 20 deg C BP (exp database): 167 @ 10 mm Hg deg C VP (exp database): 4.28E-04 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): 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 Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: SEIDELL,A (1941) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.26E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.376E-009 atm-m3/mole 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,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) 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 0.291 930 1000 Water 39.2 360 1000 Soil 60.4 720 1000 Sediment 0.0718 3.24e+003 0 Persistence Time: 568 hr

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