Ethyl levulinate C7H12O3 structure – Flashcards
Flashcard maker : Jaxon Craft
Contents
| Molecular Formula | C7H12O3 |
| Average mass | 144.168 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 205.5±0.0 °C at 760 mmHg |
| Flash Point | 90.6±0.0 °C |
| Molar Refractivity | 36.3±0.3 cm3 |
| Polarizability | 14.4±0.5 10-24cm3 |
| Surface Tension | 30.7±3.0 dyne/cm |
| Molar Volume | 144.7±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: | 205.5±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.2±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 44.2±3.0 kJ/mol |
| Flash Point: | 90.6±0.0 °C |
| Index of Refraction: | 1.416 |
| Molar Refractivity: | 36.3±0.3 cm3 |
| #H bond acceptors: | 3 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 5 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.40 |
| ACD/LogD (pH 5.5): | 0.43 |
| ACD/BCF (pH 5.5): | 1.26 |
| ACD/KOC (pH 5.5): | 41.00 |
| ACD/LogD (pH 7.4): | 0.43 |
| ACD/BCF (pH 7.4): | 1.26 |
| ACD/KOC (pH 7.4): | 41.00 |
| Polar Surface Area: | 43 Å2 |
| Polarizability: | 14.4±0.5 10-24cm3 |
| Surface Tension: | 30.7±3.0 dyne/cm |
| Molar Volume: | 144.7±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) = 0.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 189.88 (Adapted Stein & Brown method) Melting Pt (deg C): -7.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.27 (Mean VP of Antoine & Grain methods) MP (exp database): 8 at 25 deg C : 4.465E-002 L/mol-sec Kb Half-Life at pH 8: 179.673 days Kb Half-Life at pH 7: 4.919 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.29 (estimated) Volatilization from Water: Henry LC: 2.94E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.391E+004 hours (996.4 days) Half-Life from Model Lake : 2.61E+005 hours (1.087E+004 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.61 68.4 1000 Water 39 360 1000 Soil 60.3 720 1000 Sediment 0.0727 3.24e+003 0 Persistence Time: 542 hr
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