4-Heptanol
Structural formula
| Business number | 0607 |
|---|---|
| Molecular formula | C7H16O |
| Molecular weight | 116.20 |
| label |
None yet |
Numbering system
CAS number:589-55-9
MDL number:None
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Physical property data
1. Melting point (ºC): -42
2. Boiling point (ºC, normal pressure): 155.0°C
3. Density: 0.81 g/mL at 25 °C(lit.
4. Refractive index: n20/D 1.4200(lit.)
5. Flash point (ºC): 48
6. Relative density (20℃, 4℃): 0.8187
7. Relative density (25℃, 4℃): 0.8149
8. Refractive index at room temperature (n25): 1.418
9. Critical temperature (ºC): 329.45
10. Critical Density (g·cm-3): 0.2689
11. Critical volume (cm3·mol-1) ：432
Toxicological data
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Ecological data
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Molecular structure data
5. Molecular property data:
1. Molar refractive index: 35.97
2. Molar volume (cm3/mol): 141.9
3. Isotonic specific volume (90.2K): 324.7
4. Surface tension (dyne/cm): 27.3
5. Polarizability (10-24cm3): 14.26
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 37.7
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
None yet
Storage method
None yet
Synthesis method
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Purpose
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