Physical and chemical properties of ethyl acetate

2021-07-23

Physical and chemical properties of ethyl acetate

density0.9±0.1 g/cm3
boiling point73.9±3.0 °C at 760 mmHg
melting point−84 °C(lit.)
molecular formulaC4H8O2
molecular weight88.105
flash point-3.3±0.0 °C
Accurate quality88.052429
PSA26.30000
LogP0.71
Appearance and propertiescolorless liquid
Steam density3 (20 °C, vs air)
Steam pressure111.7±0.1 mmHg at 25°C
refractive index1.373
Storage conditions

Storage precautions: Store in a cool and ventilated warehouse. Stay away from sources of fire and heat. The storage temperature should not exceed 37 ℃. Keep the container sealed. It should be stored separately from oxidants, acids, and bases, and avoid mixing storage. Adopt explosion-proof lighting and ventilation facilities. Prohibit the use of mechanical equipment and tools that are prone to generating sparks. The storage area should be equipped with emergency response equipment for leaks and suitable containment materials.

stability

1. Colorless and transparent liquid. Can be miscible with chloroform, alcohol, acetone, and ether; At 25 ℃, 1ml of this product is soluble in 10ml of water. As the temperature increases, a binary azeotropic mixture is formed. The boiling point of the azeotropic mixture formed with water is 70.4 ℃, with a water content of 6.1% by mass; The boiling point of the azeotropic mixture formed with ethanol is 71.8 ℃; The boiling point of the ternary azeotropic mixture formed with 7.8% water and 9.0% ethanol is 70.2 ℃. Volatile and prone to ignition. It has a fruity aroma. Moisture can cause it to slowly decompose and undergo acidic reactions. Flammable, its vapor can easily form explosive mixtures with air, with an explosive limit of 2.2% to 11.2% by volume.

2. Chemical properties: Ethyl acetate is easily hydrolyzed, and when water is present at room temperature, it gradually hydrolyzes to produce acetic acid and ethanol. Adding trace amounts of acid or base can promote hydrolysis reactions. Ethyl acetate can also undergo common ester reactions such as alcoholysis, ammonolysis, ester exchange, and reduction. In the presence of metallic sodium, it self condenses to form 3-hydroxy-2-butanone or ethyl acetoacetate; Reacts with Grignard reagent to produce ketones, which further react to obtain tertiary alcohols. Ethyl acetate is relatively stable to heat and remains unchanged after heating at 290 ℃ for 8-10 hours. When passing through red hot iron pipes, it decomposes into ethylene and acetic acid. When heated to 300-350 ℃, zinc powder decomposes into hydrogen, carbon monoxide, carbon dioxide, acetone, and ethylene. When dehydrated at 360 ℃, aluminum oxide can decompose into water, ethylene, carbon dioxide, and acetone. Ethyl acetate decomposes under ultraviolet radiation to produce 55% carbon monoxide, 14% carbon dioxide, and 31% flammable gases such as hydrogen or methane. Reacts with ozone to produce acetaldehyde and acetic acid. Gaseous hydrogen halides react with ethyl acetate to produce haloethane and acetic acid. Among them, hydrogen iodide is the most reactive, while hydrogen chloride needs to be pressurized at room temperature to decompose. It is heated together with phosphorus pentachloride to 150 ℃ to produce chloroethane and acetyl chloride. Ethyl acetate forms various crystalline complexes with metal salts. These complexes are soluble in anhydrous ethanol but insoluble in ethyl acetate, and are easily hydrolyzed when in contact with water.

3. Stability and stability

4. Prohibited substances include strong oxidants, alkalis, and acids

5. Aggregation hazards: non aggregation


Water solubility80 g/L (20 ºC)
molecular structure

1. Molar refractive index: 22.35

2. Molar volume (cm3/mol): 98.0

3. Waiting for Zhang Biarong (90.2K): 216.0

4. Surface tension (dyne/cm): 23.5

5. Polarization rate (10-24cm3): 8.86


computational chemistry

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: None

6. Topological molecular polarity surface area 26.3

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 49.5

10. Number of isotopic atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1


more

1. Appearance: Colorless and clear liquid, with aromatic odor, easily volatile.

2. Melting point (℃): -83.6

3. Boiling point (℃): 77.2

4. Relative density (water=1): 0.90 (20 ℃)

5. Relative vapor density (air=1): 3.04

6. Saturated vapor pressure (kPa): 10.1 (20 ℃)

7. Heat of combustion (kJ/mol): -2072

8. Critical temperature (℃): 250.1

9. Critical pressure (MPa): 3.83

10. Octanol/water partition coefficient: 0.73

11. Flash point (℃): -4 (CC); 7.2(OC)

12. Ignition temperature (℃): 426.7

13. Explosion upper limit (%): 11.5

14. Lower explosive limit (%): 2.2

15. Solubility: Slightly soluble in water, soluble in most organic solvents such as ethanol, acetone, ether, chloroform, benzene, etc.

16. Viscosity (mPa · s, 20 º C): 0.449

17. Flash point (º C, closed): -3

18. Flash point (º C, open): 7.2

19. Ignition point (º C): 425.5

20. Heat of evaporation (KJ/mol, b.p.): 32.28

21. Melting heat (KJ/mol): 118.99

22. Heat of generation (KJ/mol): 446.31

23. Specific heat capacity (KJ/(kg · K), 20.4 º C, constant pressure): 1.92

24. Conductivity (S/m, 25 º C): 3.0 × 10-9

25. Thermal conductivity (W/(m · K), 20 º C): 0.15198

26. Coefficient of body expansion (K-1, 20 º C): 0.00139

27. Critical density (g · cm-3): 0.308

28. Critical volume (cm3 · mol-1): 286

29. Critical compression factor: 0.255

30. Eccentricity factor: 0.366

31. Solubility parameter (J · cm-3) 0.5:18.346

32. van der Waals area (cm2 · mol-1): 7.790 × 109

33. van der Waals volume (cm3 · mol-1): 52.770

34. Gas phase standard combustion heat (enthalpy) (kJ · mol-1): -2273.92

35. Gas phase standard claims enthalpy (kJ · mol-1): -443.42

36. Gas phase standard entropy (J · mol-1 · K-1): 359.4

37. Gas phase standard generation free energy (kJ · mol-1): -326.90

38. Liquid phase standard combustion heat (enthalpy) (kJ · mol-1): -2238.54

39. Liquid phase standard claims enthalpy (kJ · mol-1): -478.82

40. Liquid phase standard entropy (J · mol-1 · K-1): 259.4

41. Liquid phase standard generation free energy (kJ · mol-1): -332.52

42. Liquid phase standard hot melt (J · mol-1 · K-1): 169.6

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Article source: Huayuan Network

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