Structural formula
| Business number | 05TM |
|---|---|
| Molecular formula | C8H18 |
| Molecular weight | 114.23 |
| label |
2,3,4-Trimethyl-pentane, Gas Chromatography Comparison Sample |
Numbering system
CAS number:565-75-3
MDL number:MFCD00008924
EINECS number:209-292-6
RTECS number:SA3321500
BRN number:1696869
PubChem number:24855419
Physical property data
1. Properties: colorless liquid[1]
2. Melting point (℃): -110[2]
3. Boiling point (℃): 113~114[3]
4. Relative density (water=1): 0.72[4]
5. Relative vapor density (air=1): 3.9[5]
6. Saturated vapor pressure (kPa): 6.75 (37.7℃ )[6]
7. Critical pressure (MPa): 2.73[7]
8. Octanol/water Distribution coefficient: 4.05[8]
9. Flash point (℃): 0[9]
10. Ignition temperature (℃): 427[10]
11. Explosion limit (%): 6.0[11]
12. Lower explosion limit (%): 1.0[12]
13. Solubility: insoluble in water, soluble in ether, chloroform, and benzene. [13]
14. Critical density (g·cm-3): 0.248
15. Critical volume (cm 3·mol-1): 460
16. Critical compression factor: 0.267
17. Eccentricity factor: 0.316
18. Solubility parameter (J·cm-3)0.5: 14.934
19. van der Waals area (cm 2·mol-1): 1.231×1010
20.van der Waals volume (cm 3·mol-1): 88.690
Toxicological data
The vapor is toxic and irritating if inhaled.
Ecological data
1. Ecotoxicity No data available
2. Biodegradability No data available
3 .Non-biodegradability No information available
4. Other harmful effects[14] This substance is harmful to the environment and should be treated with special Be aware of contamination of surface water, soil, atmosphere and drinking water.
Molecular structure data
1. Molar refractive index: 38.98
2. Molar volume (cm3/mol): 161.7
3. Isotonic specific volume (90.2K ): 342.5
4. Surface tension (dyne/cm): 20.1
5. Polarizability (10-24cm3): 15.45
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.7
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 45.1
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. Uncertain ChemistryNumber of bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Stability[15] Stable
2. Incompatible substances[16] Strong oxidants, strong acids, strong bases, halogens
3. Polymerization hazards[17] No polymerization
Storage method
Storage Precautions[18] 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. They should be stored separately from oxidants and food chemicals, and avoid mixed storage. 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
None
Purpose
Used as solvent and gas chromatography comparison sample. [19]
