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II.A.1. (XV.A.) |
Other names |
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1-Hexyne; Butylacetylene; Hex-1-yne; n-Butylacetylene; |
INChI |
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InChI=1/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3 |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
122.30 | 1.21 | kJ mol-1 | webbook | |
Hfg(0K) ![]() |
1.21 | kJ mol-1 | webbook | ||
Entropy (298.15K) ![]() |
J K-1 mol-1 | ||||
Integrated Heat Capacity (0 to 298.15K) ![]() |
kJ mol-1 | ||||
Heat Capacity (298.15K) ![]() |
125.95 | J K-1 mol-1 | webbook |
Mode Number | Symmetry | Frequency (cm-1) | Frequency Reference | Intensity (km mol-1) | Int. unc. | Intensity Reference | Comment |
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A | B | C | reference | comment |
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Product of moments of inertia ![]() | ||||
---|---|---|---|---|
amu3Å6 | 0 | gm3 cm6 |
Point Group Cs
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description | Value | unc. | Connectivity | Reference | Comment | |||
---|---|---|---|---|---|---|---|---|
Atom 1 | Atom 2 | Atom 3 | Atom 4 |
Cartesians
Atom | x (Å) | y (Å) | z (Å) |
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Atom - Atom Distances
Distances in Å
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type | Count |
---|---|
H-C | 10 |
C-C | 4 |
C#C | 1 |
Connectivity
Atom 1 | Atom 2 |
---|---|
C1 | H2 |
C1 | H3 |
C1 | H4 |
C1 | C5 |
C5 | H6 |
C5 | H7 |
C5 | C8 |
C8 | H9 |
C8 | H10 |
C8 | C11 |
C11 | H12 |
C11 | H13 |
C11 | C16 |
C14 | H15 |
C14 | C16 |
Energy | Degeneracy | squib |
---|---|---|
0 | 1 |
Ionization Energies (eV)
Ionization Energy | I.E. unc. | vertical I.E. | v.I.E. unc. | Electron Affinity | E.A. unc. | reference |
---|---|---|---|---|---|---|
10.030 | 0.050 | webbook |
squib | reference |
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webbook | NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) |
Got a better number? Please email us at
cccbdb@nist.gov
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