2-butene 2-butene

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:107-01-7

mdl number:mfcd00064458

einecs number:210-855-3

rtecs number:em2932000

brn number:none

pubchem id:none

physical property data

1. characteristics: undetermined

2. density (g/ml, 25℃): undetermined

3. relative vapor density (g/ml, air=1 ): 2

4. melting point (ºc): -140

5. boiling point (ºc, normal pressure): 1

6. boiling point (ºc, kpa): not determined

7. refractive index (_d²⁰): not determined

8. flash point (ºc ): undetermined

9. specific rotation (ºc): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg, 37.7ºc): 2575

12. saturated vapor pressure (kpa, 10ºc): undetermined

13. heat of combustion (kj/mol): undetermined determined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/water ) log value of distribution coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined determined

19. solubility: undetermined

toxicological data

1. acute toxicity: mice inhaled lc50: 425ppm;

ecological data

none yet

molecular structure data

1. molar refractive index: 20.63

2. molar volume (cm³/mol): 88.1

3. isotonic specific volume (90.2k ): 178.5

4. surface tension (dyne/cm): 16.7

5. polarizability (10-24cm3): 8.18

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 2.3

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. ���number of rotational chemical bonds: 0

5, number of tautomers:

6, topological molecular polar surface area (tpsa): 0

7 , number of heavy atoms: 4

8, surface charge: 0

9, complexity: 15.2

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: 1

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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