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Experimental data for C2H4 (Ethylene)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/C2H4/c1-2/h1-2H2/q+1 RHAJFDHSLMUKSD-UHFFFAOYSA-N [CH2][CH2+]
State Conformation
2B3u D2H
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
2 Ag 1488   webbook      
3 Ag 1259   webbook      
4 Au 84   webbook      
7 B3u 901   webbook      
8 B2g 1103   webbook      
10 B2u 813   webbook      
11 B1u 2979   webbook      
12 B1u 1412   webbook      

Calculated vibrational frequencies for C2H4 (Ethylene).
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 C2H4 (Ethylene).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Ethylene

Point Group D2


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 C2H4 (Ethylene).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
C1 C2
C1 H3
C1 H4
C2 H5
C2 H6
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   2B3u
15660 1 webbook
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 2B3u D2h False           D2h 0 2
1 2 2B3 D2 True           D2 0 2
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 C2H4 (Ethylene).
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 2B3u D2h False       D2h 0 2
1 2 2B3 D2 True       D2 0 2

Calculated electric quadrupole moments for C2H4 (Ethylene).

References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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