1,3-Dimethyladamantane

1, 3-dimethyl fungane name

The Chinese name is 1, 3-dimethyl fungane

English name 1,3-dimethyladamantane

More English nicknames

Physicochemical properties of 1, 3-dimethylfuntane

Density 1.0± 0.1g /cm3

Boiling point 199.9±7.0 °C at 760 mmHg

Melting point -30 °C

Molecular formula C12H20

Molecular weight 164.287

Flash point 52.8±0.0 °C

Accurate mass 164.156494

LogP 5.18

Appearance properties transparent colorless liquid

Vapor pressure 0.5±0.2 mmHg at 25°C

Refractive index 1.521

Storage condition

Store in an airtight container in a cool, dry place. The storage area must be away from oxidizing agents.

stability

Stay away from the oxides.

Molecular structure

1. Molar refractive index: 51.44

2. Molar volume (cm3/mol) : 168.9

3. Isotropic volume (90.2K) : 422.7

4. Surface tension (dyne/cm) : 39.1

5. Dielectric constant: 2.71

6. Dipole distance (10-24cm3) :

7. Polarization: 20.39

Computational chemistry

1. Reference value for calculating hydrophobic parameters (XlogP) :4.6

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :0

4. Number of rotatable bonds :0

5. Number of tautomers: None

6. Topological molecular polar surface area is 0

7. Number of heavy atoms :12

8. Surface charge :0

9. Complexity :182

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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1. Properties: Liquid.

2. Density (g/mL,25/4℃) : 0.886

3. Crystal phase standard claims heat (enthalpy)(kJ·mol-1) : -286.4

4. Melting point (ºC) : -30

5. Boiling point (ºC, atmospheric pressure) : 201.5

6. Standard heat of combustion (enthalpy) of crystalline phase (kJ·mol-1) : -7294.0

7. Refractive index: 1.78

8. Flash point (ºC) : 52

9. Standard heat of combustion (enthalpy) of gas phase (kJ·mol-1) : -7361.8

10. The gas phase standard claims heat (enthalpy)(kJ·mol-1) : -218.7

11. Vapor pressure (kPa,25ºC) : Not determined

12. Saturated vapor pressure (kPa,60ºC) : Not determined

13. Heat of combustion (KJ/mol) : not determined

14. Critical temperature (ºC) : Not determined

15. Critical pressure (KPa) : Not determined

16. Logarithmic value of oil-water (octanol/water) partition coefficient: not determined

17. Upper explosion limit (%,V/V) : Not determined

18. Lower explosive Limit (%,V/V) : Not determined

19. Solubility: not determined.