1-Chlorododecane 1-Chlorododecane
Structural formula
| Business number | 035Z |
|---|---|
| Molecular formula | C12H25Cl |
| Molecular weight | 204.78 |
| label |
Dodecane chloride, Lauryl chloride, Dodecyl chloride, Lauryl chloride, Dodecane chloride, 1-Chlorododecane, 1-Chlorolaurane, Dodecyl chloride, Lauryl chloride, n-Dodecyl chloride, Surfactant, plasticizer, Halogenated hydrocarbon solvents |
Numbering system
CAS number:112-52-7
MDL number:MFCD00013688
EINECS number:203-981-5
RTECS number:None
BRN number:635778
PubChem number:24854722
Physical property data
1. Properties: colorless, transparent or light yellow oily liquid.
2. Density (g/mL, 20/4℃): 0.8673
3. Relative density (25℃, 4℃): 0.8636
4 . Melting point (ºC): -9.3
5. Boiling point (ºC, normal pressure): 260
6. Boiling point (ºC, 1.33KPa): 126
7. Refractive index (n20ºC): 1.4434
8. Refractive index at room temperature (n25): 1.4412
9. Gas phase standard claims heat (enthalpy )(kJ·mol-1): -321.1
10. The liquid phase standard claims heat (enthalpy) (kJ·mol-1): -392.3
11. Vapor pressure (mmHg, 70ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined
17. The upper explosion limit (%, V/V): Undetermined
18. The lower explosion limit (%, V/V): Undetermined
19. Solubility: Insoluble in water, soluble in benzene, easily soluble in ethanol, miscible with acetone, carbon tetrachloride and petroleum ether.
Toxicological data
Irritating to eyes, mucous membranes and skin.
Ecological data
None
Molecular structure data
1. Molar refractive index: 62.49
2. Molar volume (cm3/mol): 238.0
3. Isotonic specific volume (90.2K ): 548.0
4. Surface tension (dyne/cm): 28.1
5. Polarizability (10-24cm3): 24.77
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: 10
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 81.2
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
When exposed to open flames or high temperatures, it can burn and decompose to release toxic gases. Avoid inhalation of vapors.
Storage method
None
Synthesis method
It is obtained by chlorination of dodecyl alcohol with thionyl chloride.
Purpose
Solvents, surfactants, plasticizers, intermediates in organic synthesis.
