Hydrogen sulfide H2S structure – Flashcards
Flashcard maker : Ben Russell
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Solubility:
- Appearance:
- Stability:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Normal Alkane):
| Molecular Formula | H2S |
| Average mass | 34.081 Da |
| Density | |
| Boiling Point | -60.7±9.0 °C at 760 mmHg |
| Flash Point | |
| Molar Refractivity | |
| Polarizability | |
| Surface Tension | |
| Molar Volume |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | |
| Boiling Point: | -60.7±9.0 °C at 760 mmHg |
| Vapour Pressure: | 12581.3±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 18.7±0.0 kJ/mol |
| Flash Point: | |
| Index of Refraction: | |
| Molar Refractivity: | |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: |
| ACD/LogP: | |
| 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: | 0 Å2 |
| Polarizability: | |
| Surface Tension: | |
| Molar Volume: |
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.23 Log Kow (Exper. database match) = -1.38 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): 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): 35.2 (Mean VP of Antoine & Grain methods) MP (exp database): 3.81 deg C BP (exp database): 101.42 deg C VP (exp database): 2.06E+01 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: -1.38 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 4.82e+005 mg/L (24 deg C) Exper. Ref: DEAN,JA (1985) Water Sol (Exper. database match) = 3740 mg/L (21 deg C) Exper. Ref: VANABLE,CS & FUWA,T (1922) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 60488 mg/L Wat Sol (Exper. database match) = 482000.00 Exper. Ref: DEAN,JA (1985) Wat Sol (Exper. database match) = 3740.00 Exper. Ref: VANABLE,CS & FUWA,T (1922) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.69E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.578E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: 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): 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): 2.75E+003 Pa (20.6 mm Hg) Log Koa (Koawin est ): -0.931 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.09E-009 Octanol/air (Koa) model: 2.88E-014 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.95E-008 Mackay model : 8.74E-008 Octanol/air (Koa) model: 2.3E-012 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: 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): 6.34E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 Log Koc: 1.155 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: -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 55 1e+005 1000 Water 42.6 360 1000 Soil 2.33 720 1000 Sediment 0.0779 3.24e+003 0 Persistence Time: 148 hr
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