1-methyl-1-cyclopentene

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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 _(n²⁵_D): _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.

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