1-methyl-1-cyclopentene
Structural formula
| Business number | 07A4 |
|---|---|
| Molecular formula | C6H10 |
| Molecular weight | 82.14 |
| label |
1-methyl-cyclopentane, Methylcyclopentene, 1-Methylcyclopenten, Alicyclic compounds, Organic synthetic raw materials |
Numbering system
CAS number:693-89-0
MDL number:MFCD00001397
EINECS number:211-762-0
RTECS number:None
BRN number:1900640
PubChem number:24884734
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 25/4℃): 0.78
3. Solubility parameter (J·cm-3)0.5：16.626
4. Melting point (ºC): -142
5. Boiling point (ºC, normal pressure): 75-77
6. van der Waals area (cm2·mol-1): 7.660×109
7. Refractive index (n25D): 1.432
8. Flash point (ºC): -17
9. van der Waals Volume (cm3·mol-1): 58.770
10. Liquid phase standard heat of combustion (enthalpy) (kJ·mol– 1): -3753.8
11. The liquid phase standard claims heat (enthalpy) (kJ·mol-1): -36.4
12. Liquid phase standard hot melt (J·mol-1·K-1): 153.1
13. Gas phase standard heat of combustion (enthalpy) (kJ·mol-1): -3786.4
14. The gas phase standard claims heat (enthalpy) (kJ·mol-1): -3.8
15. Gas phase standard entropy (J·mol-1·K-1): 326.35
16. Gas phase standard Free energy of formation (kJ·mol-1): 103.8
17. Gas phase standard hot melt (J·mol-1·K -1): 100.8
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined.
Toxicological data
None
Ecological data
Do not allow undiluted or large quantities of products that are slightly hazardous to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 27.36
2. Molar volume (cm3/mol): 99.9
3. Isotonic specific volume (90.2K ): 224.5
4. Surface tension (dyne/cm): 25.4
5, Dielectric constant: 2.52
6, Dipole moment (10-24cm3):
7. Polarizability: 10.84
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: None
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 70.1
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. Keep away from oxides and heat.
2. Exist in smoke.
Storage method
Store in an airtight container in a cool, dry place. Store away from oxidizing agents.
Synthesis method
None
Purpose
Used in organic synthesis.
