Ethenone C2H2O structure – Flashcards
Flashcard maker : Jason Westley
Contents
| Molecular Formula | C2H2O |
| Average mass | 42.037 Da |
| Density | 0.7±0.1 g/cm3 |
| Boiling Point | -56.0±0.0 °C at 760 mmHg |
| Flash Point | -98.7±13.3 °C |
| Molar Refractivity | 11.2±0.3 cm3 |
| Polarizability | 4.4±0.5 10-24cm3 |
| Surface Tension | 3.5±3.0 dyne/cm |
| Molar Volume | 59.0±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.7±0.1 g/cm3 |
| Boiling Point: | -56.0±0.0 °C at 760 mmHg |
| Vapour Pressure: | 12569.8±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 20.2±3.0 kJ/mol |
| Flash Point: | -98.7±13.3 °C |
| Index of Refraction: | 1.304 |
| Molar Refractivity: | 11.2±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.11 |
| ACD/LogD (pH 5.5): | 0.26 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 33.15 |
| ACD/LogD (pH 7.4): | 0.26 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 33.15 |
| Polar Surface Area: | 17 Å2 |
| Polarizability: | 4.4±0.5 10-24cm3 |
| Surface Tension: | 3.5±3.0 dyne/cm |
| Molar Volume: | 59.0±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) = -0.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -50.16 (Adapted Stein & Brown method) Melting Pt (deg C): -139.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.27E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.63e+005 log Kow used: -0.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 31939 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.158E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7275 Biowin2 (Non-Linear Model) : 0.9177 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1063 (weeks ) Biowin4 (Primary Survey Model) : 3.7871 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5995 Biowin6 (MITI Non-Linear Model): 0.7972 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6890 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): 8.11E+005 Pa (6.08E+003 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.7E-012 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.34E-010 Mackay model : 2.96E-010 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 51.4000 E-12 cm3/molecule-sec Half-Life = 0.208 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.497 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.008750 E-17 cm3/molecule-sec Half-Life = 130.971 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 2.15E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.498 Log Koc: 0.176 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: -0.52 (estimated) Volatilization from Water: Henry LC: 0.000116 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 3.939 hours Half-Life from Model Lake : 97.34 hours (4.056 days) Removal In Wastewater Treatment: Total removal: 35.32 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.24 percent Total to Air: 34.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.63 4.99 1000 Water 74.7 360 1000 Soil 19.6 720 1000 Sediment 0.137 3.24e+003 0 Persistence Time: 92.9 hr
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