3-cyclopentylpropionic acid 3-cyclopentylpropionic 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:140-77-2

mdl number:mfcd00001392

einecs number:205-433-0

rtecs number:none

brn number:none

pubchem number:24892367

physical property data

1. physical property data:

1. shape: colorless liquid

2. density (g /ml ,25/4℃)：0.996

3. refractive index (nd20): 1.456-1.458

4. flashpoint (℃):46

5. boiling point (ºc,12 mmhg):130-132

6. autoignition point or ignition temperature (ºc): 47

7. solubility: insoluble in water

toxicological data

none yet

ecological data

3. ecological data:

1, other harmful effects: this substance may be harmful to the environment, special attention should be paid to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index:38.58

2. molar volume (m³/ mol):137.4

3. isotonic specific volume (90.2k): 345.9

4. surface tension (dyne/cm): 40.1

5. polarizability, other harmful effects: this substance may be harmful to the environment, special attention should be paid to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index:38.58

2. molar volume (m³/ mol):137.4

3. isotonic specific volume (90.2k): 345.9

4. surface tension (dyne/cm): 40.1

5. polarizability（10^-24cm³):15.29

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.3

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 37.3

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 114

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

stable under normal temperature and pressure. span>

storage method

stored sealed in a dry and cool place.

synthesis method

none yet

purpose

none yet

‘times new roman’; mso-hansi-font-family: ‘times new roman’; mso-bidi-font-family: arial”>（10^-24cm³): 15.29

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.3

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 37.3

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 114

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

stable under normal temperature and pressure. span>

storage method

stored sealed in a dry and cool place.

synthesis method

none yet

purpose

none yet