1-cyclohexene-1-carboxylic acid

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:636-82-8

MDL number:MFCD00001545

EINECS number:000-000-0

RTECS number:None

BRN number:1905520

PubChem number:24859731

Physical property data

1. Properties: colorless and transparent liquid.

2. Density (g/mL, 25/4℃): 1.1089

3. Relative density (20℃, 4℃): 1.0865^d

4. Melting point (ºC): 36~38

5. Boiling point (ºC, normal pressure): 240~243

6. Boiling point (ºC, normal pressure) 5.2kPa): Undetermined

7. Refractive index _(n²⁰_D): 1.4902

8. Flash point (ºC): >110

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined Determined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Combustion Heat (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit ( %, V/V): Not determined

19. Solubility: Not determined.

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: 33.37

2. Molar volume (cm³/mol): 109.9

3. Isotonic specific volume (90.2K ): 286.8

4. Surface tension (dyne/cm): 46.2

5. Polarizability (10^-24cm³): 13.23

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Interaction�Number of isomers: None

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 147

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain stereocenters of atoms: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Keep away from oxides.

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

Pharmaceutical intermediates.