4-Heptanol

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: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

None yet

Ecological data

None yet

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

None yet

Purpose

None yet

Resource:allhdi.com