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Experimental data for C6H12 ((Z)-hex-2-ene)

22 02 02 11 45
Other names
cis-2-Hexene; (Z)-2-Hexene; 2-Hexene, cis-; (Z)-hex-2-ene; cis-hex-2-ene;
INChI INChIKey SMILES IUPAC name
InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3- RYPKRALMXUUNKS-HYXAFXHYSA-N C/C=C\CCC (Z)-hex-2-ene
State Conformation
1A C1
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference

Calculated vibrational frequencies for C6H12 ((Z)-hex-2-ene).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for C6H12 ((Z)-hex-2-ene).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of (Z)-hex-2-ene

Point Group C1


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)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for C6H12 ((Z)-hex-2-ene).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 12
C-C 4
C=C 1

Connectivity
Atom 1 Atom 2
C1 C2
C1 H7
C1 H8
C1 H9
C2 C3
C2 H10
C3 C4
C3 H11
C4 C5
C4 H12
C4 H13
C5 C6
C5 H14
C5 H15
C6 H16
C6 H17
C6 H18
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 1A C1 False           Cs 2 3
1 2 1A C1 True           C1 3 5
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for C6H12 ((Z)-hex-2-ene).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 1A C1 False       Cs 2 3
1 2 1A C1 True       C1 3 5

Calculated electric quadrupole moments for C6H12 ((Z)-hex-2-ene).

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