Chloropropane physical and chemical properties
Density 0.9±0.1 g/cm3
Boiling point 46.8±3.0 °C at 760 mmHg
Melting point -123 °C
Molecular formula C3H7Cl
Molecular weight 78.541
Flash point -31.7±0.0 °C
Exact quality 78.023628
LogP 2.03
Appearance traits Transparent colorless liquid
Steam density 2.71 (vs air)
Vapor pressure 343.5±0.1 mmHg at 25°C
Refractive index 1.382
Storage conditions
Storage Precautions Store in a cool, ventilated warehouse. Keep away from fire and heat. The temperature should not exceed 29 °C. Keep the container sealed. It should be stored separately from oxidants and alkalis, and should not be mixed. Explosion-proof lighting and ventilation facilities are used. It is forbidden to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with leakage emergency treatment equipment and suitable containment materials.
Stability
1. Chemical properties: In the presence of aluminum trichloride, isomerization occurs below 200 ° C and is converted to 2-chloropropane. Propylene and 2-chloropropane are produced by heating to 380 to 400 ° C in the presence of ruthenium chloride.
2. Stability Stable
3. Incompatible materials Strong oxidants, strong bases
4. Conditions to avoid contact
5. Polymerization hazard does not polymerize
6. decomposition products hydrogen chloride
Water solubility 2.7 g/L (20 oC)
Molecular Structure
1, molar refractive index: 20.79
2, molar volume (cm3 / mol): 89.4
3, isotonic capacity (90.2K): 189.9
4. Surface tension (dyne/cm): 20.3
5. Polarization rate (10-24cm3): 8.24
Computing chemistry
1. Hydrophobic parameter calculation reference value (XlogP): none
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecular polarity surface area 0
7. Number of heavy atoms: 4
8. Surface charge: 0
9. Complexity: 7.2
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertainty of the number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Uncertain chemical bond number of stereocenters: 0
15. Number of covalent bond units: 1
More
1. Properties: colorless liquid with chloroform smell.
2. Melting point (°C): -122.8
3. Boiling point (°C): 46.6
4. Relative density (water = 1): 0.89
5. Relative vapor density (air = 1): 2.71
6. Saturated vapor pressure (kPa): 45.9 (25 ° C)
7. Heat of combustion (kJ/mol): -1999.3
8. Critical temperature (°C): 230
9. Critical pressure (MPa): 4.58
10. Octanol / water partition coefficient: 2.04
11. Flash point (°C): -32
12. Ignition temperature (°C): 520
13. Upper explosion limit (%): 11.1
14. Lower explosion limit (%): 2.6
15. Solubility: slightly soluble in water, soluble in ethanol, ether, benzene, chloroform.
16. Heat of evaporation (KJ/mol, b.p.): 27.26
17. Heat of fusion (KJ/mol): 5.55
18. Heat of formation (KJ/mol, 25oC, liquid): 159.96
19. Heat of combustion (KJ/mol, 25oC, liquid): 2022.2
20. Specific heat capacity (KJ/(kg·K), 25oC): 1.68
21. Solubility (%, water, 20oC): 0.271
22. Conductivity (S/m, 20oC): 5.55×10-4
23. Body expansion coefficient (K-1, 20oC): 0.001447
24. Relative density (25 ° C, 4 ° C): 0.8850
25. Normal temperature refractive index (n25): 1.3858
26. Critical density (g·cm-3): 0.2965
27. Critical volume (cm3·mol-1): 246.7
28. Critical compression factor: 0.2589
29. Eccentricity factor: 0.228
30. Lennard-Jones parameters (A): 7.975
31. Lennard-Jones parameters (K): 217.1
32. Solubility parameter (J·cm-3) 0.5: 17.041
33.van der Waals area (cm2·mol-1): 6.620×109
34.van der Waals volume (cm3·mol-1): 45.750
35. Liquid phase standard claims heat (焓) (kJ·mol-1): -161.6
36. Liquid standard hot melt (J·mol-1·K-1): 129.3
37. Gas phase standard claims heat (焓) (kJ·mol-1): -131.9
38. Gas phase standard entropy (J·mol-1·K-1): 318.64
39. Gas phase standard generation free energy (kJ·mol-1): -52.1
40. Gas phase standard hot melt (J·mol-1·K-1): 84.14
China (Mainland)
