Carbon suboxide C3O2 structure – Flashcards
Flashcard maker : Gracie Stone
Molecular Formula | C3O2 |
Average mass | 68.031 Da |
Density | 0.9±0.1 g/cm3 |
Boiling Point | 6.8±0.0 °C at 760 mmHg |
Flash Point | -5.9±14.0 °C |
Molar Refractivity | 16.2±0.3 cm3 |
Polarizability | 6.4±0.5 10-24cm3 |
Surface Tension | 0.3±3.0 dyne/cm |
Molar Volume | 75.0±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 0.9±0.1 g/cm3 |
Boiling Point: | 6.8±0.0 °C at 760 mmHg |
Vapour Pressure: | 1483.8±0.0 mmHg at 25°C |
Enthalpy of Vaporization: | 25.5±3.0 kJ/mol |
Flash Point: | -5.9±14.0 °C |
Index of Refraction: | 1.352 |
Molar Refractivity: | 16.2±0.3 cm3 |
#H bond acceptors: | 2 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 0 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | -0.96 |
ACD/LogD (pH 5.5): | -0.06 |
ACD/BCF (pH 5.5): | 1.00 |
ACD/KOC (pH 5.5): | 22.03 |
ACD/LogD (pH 7.4): | -0.06 |
ACD/BCF (pH 7.4): | 1.00 |
ACD/KOC (pH 7.4): | 22.03 |
Polar Surface Area: | 34 Å2 |
Polarizability: | 6.4±0.5 10-24cm3 |
Surface Tension: | 0.3±3.0 dyne/cm |
Molar Volume: | 75.0±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) = -1.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -20.15 (Adapted Stein & Brown method) Melting Pt (deg C): -109.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.47E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -107 deg C BP (exp database): 6.8 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -1.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 86700 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]: 6.803E-005 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) : 0.7152 Biowin2 (Non-Linear Model) : 0.8852 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0488 (weeks ) Biowin4 (Primary Survey Model) : 3.7496 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5097 Biowin6 (MITI Non-Linear Model): 0.6368 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): 1.95E+005 Pa (1.46E+003 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.54E-011 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.57E-010 Mackay model : 1.23E-009 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 350.0000 E-12 cm3/molecule-sec Half-Life = 0.031 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.003 Min Ozone Reaction: OVERALL Ozone Rate Constant = 0.002025 E-17 cm3/molecule-sec Half-Life = 565.925 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 8.95E-010 (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: -1.93 (estimated) Volatilization from Water: Henry LC: 6.8E-005 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 7.94 hours Half-Life from Model Lake : 155.8 hours (6.491 days) Removal In Wastewater Treatment: Total removal: 7.95 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.66 percent Total to Air: 6.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.319 0.733 1000 Water 54.4 360 1000 Soil 45.2 720 1000 Sediment 0.0994 3.24e+003 0 Persistence Time: 197 hr
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