Structural formula
| Business number | 06SB |
|---|---|
| Molecular formula | C7H14 |
| Molecular weight | 98.19 |
| label |
2,4,4-trimethyl-2-butene, Isopropyldimethylethylene, 2,4-dimethyl-pent-2-ene |
Numbering system
CAS number:625-65-0
MDL number:None
EINECS number:210-905-4
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: colorless liquid.
2. Density (g/mL,25/4℃): 06954
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point (ºC):-127.7
5. Boiling point (ºC,Normal pressure): 83.44
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.4040
8. Flashpoint (ºC): -40
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Soluble in ethanol, ether, benzene and chloroform, insoluble in water.
Toxicological data
None
Ecological data
Generally not hazardous to water, do not discharge material into the surrounding environment without government permission.
Molecular structure data
1. Moore refraction Rate: 34.33
2. Molar Volume (cm3/mol):137.8
3. isotonic ratio (90.2K): 291.4
4. Surface Tension (dyne/cm）：19.9
5. Dielectric Constant (F/m):2.46
6. Polarization Rate（10-24cm3):13.61
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.1
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 molecule polar surface area 0
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 64.1
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
Keep away from sources of fire.
Storage method
Refrigerate.
Synthesis method
None
Purpose
Gas Chromatography Analytical standards. Organic Synthesis.
