Propionic anhydride C6H10O3 structure – Flashcards
Flashcard maker : Tilly Wilkinson
Contents
| Molecular Formula | C6H10O3 |
| Average mass | 130.142 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 168.4±8.0 °C at 760 mmHg |
| Flash Point | 73.9±0.0 °C |
| Molar Refractivity | 31.7±0.3 cm3 |
| Polarizability | 12.5±0.5 10-24cm3 |
| Surface Tension | 30.3±3.0 dyne/cm |
| Molar Volume | 128.2±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Predicted 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: | 168.4±8.0 °C at 760 mmHg |
| Vapour Pressure: | 1.6±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 40.5±3.0 kJ/mol |
| Flash Point: | 73.9±0.0 °C |
| Index of Refraction: | 1.408 |
| Molar Refractivity: | 31.7±0.3 cm3 |
| #H bond acceptors: | 3 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.58 |
| ACD/LogD (pH 5.5): | 0.73 |
| ACD/BCF (pH 5.5): | 2.11 |
| ACD/KOC (pH 5.5): | 59.43 |
| ACD/LogD (pH 7.4): | 0.73 |
| ACD/BCF (pH 7.4): | 2.11 |
| ACD/KOC (pH 7.4): | 59.43 |
| Polar Surface Area: | 43 Å2 |
| Polarizability: | 12.5±0.5 10-24cm3 |
| Surface Tension: | 30.3±3.0 dyne/cm |
| Molar Volume: | 128.2±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) = 0.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 102.30 (Adapted Stein & Brown method) Melting Pt (deg C): -69.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.56 (Mean VP of Antoine & Grain methods) MP (exp database): -45 deg C BP (exp database): 170 deg C VP (exp database): 1.36E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.143e+004 log Kow used: 0.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 62887 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.28E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.448E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.40 (KowWin est) Log Kaw used: -2.590 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.990 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6856 Biowin2 (Non-Linear Model) : 0.7614 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9116 (weeks ) Biowin4 (Primary Survey Model) : 3.6600 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4246 Biowin6 (MITI Non-Linear Model): 0.4174 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7289 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): 181 Pa (1.36 mm Hg) Log Koa (Koawin est ): 2.990 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.65E-008 Octanol/air (Koa) model: 2.4E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.98E-007 Mackay model : 1.32E-006 Octanol/air (Koa) model: 1.92E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.9136 E-12 cm3/molecule-sec Half-Life = 11.707 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.61E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.869 Log Koc: 0.458 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.120E+004 L/mol-sec Kb Half-Life at pH 8: 1.031 minutes Kb Half-Life at pH 7: 10.314 minutes Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.40 (estimated) Volatilization from Water: Henry LC: 6.28E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 11.8 hours Half-Life from Model Lake : 224.4 hours (9.349 days) Removal In Wastewater Treatment: Total removal: 5.03 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.71 percent Total to Air: 3.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 13.5 281 1000 Water 43.9 360 1000 Soil 42.5 720 1000 Sediment 0.0822 3.24e+003 0 Persistence Time: 296 hr
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