Structural formula
| Business number | 03HT |
|---|---|
| Molecular formula | C9H18 |
| Molecular weight | 126.24 |
| label |
1-nonene, linear compound |
Numbering system
CAS number:124-11-8
MDL number:MFCD00009568
EINECS number:204-681-7
RTECS number:None
BRN number:1698439
PubChem ID:None
Physical property data
1. Properties: colorless liquid[1]
2. Melting point (℃): -81.4[2]
3. Boiling point (℃): 146.9[3]
4. Relative density (water=1): 0.73[4]
5. Relative vapor density (air=1): 4.35[5]
6. Saturated vapor pressure (kPa): 1.46 (37.7℃)[6]
7. Heat of combustion (kJ/mol): -5573[7]
8. Critical temperature ( ℃): 327.8[8]
9. Critical pressure (MPa): 2.48[9]
10. Alcohol/water partition coefficient: 5.15[10]
11. Flash point (℃): 26 (OC)[11]
12. Ignition temperature (℃): 244[12]
13. Explosion upper limit (%): 4.0[13]
14. Lower explosion limit (%): 0.9[14]
15. Solubility: insoluble in water, soluble in ethanol and ether. [15]
16. Critical density (g·cm-3): 0.24
17. Critical volume (cm 3·mol-1): 526
18. Solubility parameter (J·cm-3)0.5: 15.832
19. van der Waals area (cm2·mol-1): 1.316×10 10
20. van der Waals volume (cm3·mol-1): 95.460
21 .Liquid phase standard entropy (J·mol-1·K-1): 390.54
22. Liquid phase standard hot melt (J·mol -1·K-1): 270.36
23. Gas phase standard entropy (J·mol-1·K -1): 501.49
24. Vapor phase standard hot melt (J·mol-1·K-1) ：194.68
Toxicological data
1. Acute toxicity No data available
2. Irritation No data available
Ecological data
1. Ecotoxicity No data available
2. Biodegradability No data available
3 . Non-biodegradability No data yet
4. Bioaccumulation [16] BCF: 1843 (theoretical)
5. Other harmful effects[17] This substance may be harmful to the environment. Special attention should be paid to the pollution of surface water, soil, atmosphere and drinking water. , pay special attention to fish and water bodies.
Molecular structure data
1. Molar refractive index: 43.47
2. Molar volume (cm3/mol): 172.1
3. Isotonic specific volume (90.2K ): 379.2
4. Surface tension (dyne/cm): 23.5
5. Polarizability (10-24cm3): 217.23
Computational ChemistryData
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 55.1
10. Number of isotope 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
Properties and stability
1. Stability[18] Stable
2. Incompatible substances[19] Strong oxidants, strong acids, strong bases, halogens
3. Polymerization hazards[20] No polymerization
Storage method
Storage Precautions[21] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37°C and the container should be kept sealed. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
Brief description of the production method: The industry mainly uses phosphoric acid to soak the carrier to prepare a solid phosphoric acid catalyst to produce nonene.
Purpose
Used as solvent and organic synthesis intermediate. [22]
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