3-Cyclopentylpropionic acid 3-Cyclopentylpropionic acid

Structural formula

Business number	03TA
Molecular formula	C8H14O2
Molecular weight	142.20
label	Cyclopentane propionic acid, Cyclopentanepropionic acid, Alicyclic compounds

• 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

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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