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
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.
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 1. Reference value for hydrophobic parameter calculation (XlogP): 2.3
Molecular structure data
Compute chemical data
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