1,1′-ethynylenedicyclohexanol 1,1′-ethynylenedicyclohexanol

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: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