Glyoxal C2H2O2 structure – Flashcards
Flashcard maker : Deloris Connelly
Contents
| Molecular Formula | C2H2O2 |
| Average mass | 58.036 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 50.0±9.0 °C at 760 mmHg |
| Flash Point | -4.3±4.4 °C |
| Molar Refractivity | 11.7±0.3 cm3 |
| Polarizability | 4.6±0.5 10-24cm3 |
| Surface Tension | 28.2±3.0 dyne/cm |
| Molar Volume | 56.2±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.0±0.1 g/cm3 |
| Boiling Point: | 50.0±9.0 °C at 760 mmHg |
| Vapour Pressure: | 291.7±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 29.3±3.0 kJ/mol |
| Flash Point: | -4.3±4.4 °C |
| Index of Refraction: | 1.337 |
| Molar Refractivity: | 11.7±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | -0.67 |
| ACD/LogD (pH 5.5): | -0.51 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 12.64 |
| ACD/LogD (pH 7.4): | -0.51 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 12.64 |
| Polar Surface Area: | 34 Å2 |
| Polarizability: | 4.6±0.5 10-24cm3 |
| Surface Tension: | 28.2±3.0 dyne/cm |
| Molar Volume: | 56.2±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) = -1.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 97.85 (Adapted Stein & Brown method) Melting Pt (deg C): -66.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 288 (Mean VP of Antoine & Grain methods) MP (exp database): 15 deg C BP (exp database): 50.4 deg C VP (exp database): 2.55E+02 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: -1.66 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L (20 deg C) Exper. Ref: UNION CARBIDE (1974) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: UNION CARBIDE (1974) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.70E-007 atm-m3/mole Group Method: Incomplete Exper Database: 3.33E-09 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.199E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.66 (KowWin est) Log Kaw used: -6.866 (exp database) Log Koa (KOAWIN v1.10 estimate): 5.206 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2892 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1156 (weeks ) Biowin4 (Primary Survey Model) : 4.1573 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.3623 Biowin6 (MITI Non-Linear Model): 0.9982 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0812 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): 3.4E+004 Pa (255 mm Hg) Log Koa (Koawin est ): 5.206 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.82E-011 Octanol/air (Koa) model: 3.94E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.19E-009 Mackay model : 7.06E-009 Octanol/air (Koa) model: 3.16E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.3170 E-12 cm3/molecule-sec Half-Life = 0.422 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.070 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.12E-009 (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: -1.66 (estimated) Volatilization from Water: Henry LC: 3.33E-009 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.339E+005 hours (5581 days) Half-Life from Model Lake : 1.461E+006 hours (6.089E+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 0.0762 22.5 1000 Water 39.3 360 1000 Soil 60.6 720 1000 Sediment 0.0718 3.24e+003 0 Persistence Time: 567 hr
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