1-phenylpentane

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:538-68-1

MDL number:MFCD00009502

EINECS number:208-701-5

RTECS number:None

BRN number:1904359

PubChem ID:None

Physical property data

1. Properties: Colorless and transparent liquid with aromatic odor.

2. Boiling point (ºC, 101.3kPa): 205.4

3. Melting point (ºC): -75

4. Relative density (g/mL, 20/4ºC): 0.8585

5. Refractive index _(n²⁰_D): 1.488

6. Kinematic viscosity (m²/s, 20ºC): 1.553×10^-6

7. Flash point (ºC, opening) : 65.6

8. Heat of formation (KJ/mol, gas): 34.46

9. Heat of combustion (KJ/mol): 6232.97

10. Specific heat capacity (KJ/(kg·K), 27ºC, gas, constant pressure): 1.34

11. Critical temperature (ºC, calculated value): 229.43

12. Vapor pressure (kPa , 81ºC): 1.33

13. Solubility: Insoluble in water and methanol. But it is miscible with ethanol, ether, ethyl acetate, acetone and benzene. Can dissolve mineral oil, oleic acid, aliphatic hydrocarbons and aromatic hydrocarbons.

14. Relative density (25℃, 4℃): 0.8546

15. Refractive index at room temperature (n²⁵): 1.4855

16. Liquid phase standard combustion heat (enthalpy) (kJ·mol^-1): -6525.8

17. Liquid phase standard claimed heat (enthalpy) (kJ·mol ^-1): -89.5

18. Liquid phase standard hot melt (J·mol^-1·K^-1): 290.8

19. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -6580.9

20. Gas phase standard claimed heat (Enthalpy) (kJ·mol^-1): -34.4

21. Gas phase standard entropy (J·mol^-1·K ^-1): 477.4

22. Gas phase standard formation free energy (kJ·mol^-1): 153.8

23. Gas phase standard Hot melt (J·mol^-1·K^-1): 201.6

Toxicological data

Can irritate mucous membranes. It has a hypnotic effect at high concentrations.

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 49.70

2. MolarVolume (cm³/mol): 171.7

3. Isotonic specific volume (90.2K): 403.2

4. Surface tension (dyne/cm): 30.3

5. Polarizability (10^-24cm³): 19.70

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 80

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

1. It will not decompose or react if stored as required, keep away from oxides. 2. It is easy to catch fire. Keep away from fire sources when using. In case of fire, use foam fire extinguishing agent, carbon dioxide, dry chemical fire extinguishing agent and carbon tetrachloride to extinguish the fire. 3. Exist in smoke.

Storage method

This product should be sealed and stored in a cool place.

Synthesis method

1. After dehydrating the molecular sieve, use a packed tower equipped with a glass single ring for distillation.

2. Prepared by the reaction of benzyl magnesium chloride and n-butyl p-toluenesulfonate.

Purpose

Gas chromatography standards. Used as solvent (heating) for paraffin wax and carnauba wax.