4-Heptanol

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4-Heptanol Structural Formula

Structural formula

Business number 0607
Molecular formula C7H16O
Molecular weight 116.20
label

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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

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Storage method

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Synthesis method

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Purpose

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Resource:allhdi.com

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