1,1′-Ethynylenedicyclohexanol 1,1′-Ethynylenedicyclohexanol
Structural formula
| Business number | 01N6 |
|---|---|
| Molecular formula | C14H22O2 |
| Molecular weight | 222.32 |
| label |
1,2-bis(1,1′-dicyclohexanol)acetylene, 1,1′-(1,2-ethynediyl)bis-cyclohexano |
Numbering system
CAS number:78-54-6
MDL number:MFCD00021400
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Physical property data
1. Character: Uncertain.
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC): Unsure
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flash point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
17. Explosion limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility: Uncertain.
Toxicological data
1, acute toxicity
Mouse intravenous LD50: 180mg/kg;
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 63.88
2. Molar volume (m3/mol）：201.2
3. isotonic specific volume (90.2K):535.6
4. Surface Tension (dyne/cm):50.1
5. Polarizability（10-24cm3):25.32
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.1
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 267
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
t; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>1. Moore refraction Rate: 63.88
2. Molar volume (m3/mol）：201.2
3. isotonic specific volume (90.2K):535.6
4. Surface Tension (dyne/cm):50.1
5. Polarizability（10-24cm3):25.32
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.1
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 267
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
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15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
