1-penten-3-ol
Structural formula
| Business number | 06H9 |
|---|---|
| Molecular formula | C5H10O |
| Molecular weight | 86.13 |
| label |
Ethyl vinyl carbinol, Ethyl vinyl carbinol, alcohol solvent |
Numbering system
CAS number:616-25-1
MDL number:MFCD00004573
EINECS number:210-472-1
RTECS number:None
BRN number:1736934
PubChem number:24887102
Physical property data
1. Properties: colorless oily liquid
2. Relative density: 0.839
3. Refractive index (nD20): 1.4239
4. Flash point (℃): 25
5. Boiling point (ºC): 114~115
6. Liquid phase standard heat of combustion (enthalpy) (kJ·mol-1 ): -3150.26
7. Liquid phase standard claims heat (enthalpy) (kJ·mol-1): -246.4
8 . Solubility: Miscible with ethanol and ether, slightly soluble in water.
Toxicological data
None yet
Ecological data
Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 26.43
2. Molar volume (cm3/mol): 104.0
3. Isotonic specific volume (90.2K): 234.1
4. Surface tension (dyne/cm): 25.6
5. Polarizability (10-24cm3): 10.47
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.1
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 41.2
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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. The product may not decompose under normal temperature and pressure.
2. Found in flue-cured tobacco leaves.
Storage method
Seal the secret container and store it in a sealed main container in a cool, dry place.
Synthesis method
Purpose
Organic Synthesis.
