tetrathionic acid H2O6S4 structure – Flashcards
Flashcard maker : Tyree Bender
Molecular Formula | H2O6S4 |
Average mass | 226.272 Da |
Density | 2.4±0.1 g/cm3 |
Boiling Point | |
Flash Point | |
Molar Refractivity | 38.8±0.4 cm3 |
Polarizability | 15.4±0.5 10-24cm3 |
Surface Tension | 161.1±3.0 dyne/cm |
Molar Volume | 93.6±3.0 cm3 |
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 2.4±0.1 g/cm3 |
Boiling Point: | |
Vapour Pressure: | |
Enthalpy of Vaporization: | |
Flash Point: | |
Index of Refraction: | 1.767 |
Molar Refractivity: | 38.8±0.4 cm3 |
#H bond acceptors: | 6 |
#H bond donors: | 2 |
#Freely Rotating Bonds: | 3 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 0.43 |
ACD/LogD (pH 5.5): | |
ACD/BCF (pH 5.5): | |
ACD/KOC (pH 5.5): | |
ACD/LogD (pH 7.4): | |
ACD/BCF (pH 7.4): | |
ACD/KOC (pH 7.4): | |
Polar Surface Area: | 176 Å2 |
Polarizability: | 15.4±0.5 10-24cm3 |
Surface Tension: | 161.1±3.0 dyne/cm |
Molar Volume: | 93.6±3.0 cm3 |
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -3.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 772.61 (Adapted Stein & Brown method) Melting Pt (deg C): 339.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.56E-023 (Modified Grain method) Subcooled liquid VP: 5.94E-020 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -3.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.42E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.644E-030 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -3.88 (KowWin est) Log Kaw used: -10.518 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.638 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6398 Biowin2 (Non-Linear Model) : 0.4492 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6992 (weeks-months) Biowin4 (Primary Survey Model) : 3.5213 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0390 Biowin6 (MITI Non-Linear Model): 0.0179 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): 7.92E-018 Pa (5.94E-020 mm Hg) Log Koa (Koawin est ): 6.638 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.79E+011 Octanol/air (Koa) model: 1.07E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 8.53E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 225.2800 E-12 cm3/molecule-sec Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.570 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 11.5 Log Koc: 1.061 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: -3.88 (estimated) Volatilization from Water: Henry LC: 7.42E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.187E+009 hours (4.945E+007 days) Half-Life from Model Lake : 1.295E+010 hours (5.395E+008 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 0.0844 1.14 1000 Water 53.1 900 1000 Soil 46.8 1.8e+003 1000 Sediment 0.102 8.1e+003 0 Persistence Time: 609 hr
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