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.
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