return to home page

II.A.1. (XV.A.)

Listing of experimental data for CO (Carbon monoxide)

Other names
Carbon monooxide; Carbon monoxide; Carbon monoxide, cryogenic liquid; Carbon oxide; Carbon oxide (CO); Carbon oxide (CO1+); Carbone; Carbonic oxide; Carbonio; Exhaust Gas; Flue gas; Flue gasnide; Kohlenmonoxid; Kohlenoxyd; Koolmonoxyde; Monoxide; NA 9202; Oxyde de carbone; UN 1016; Wegla tlenek;
INChI SMILES IUPAC name
InChI=1/CO/c1-2 [C]=O Carbon monoxide
State Conformation
1Σ C*V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation -110.53 0.17 kJ mol-1 CODATA
Hfg(0K) enthalpy of formation -113.81 0.17 kJ mol-1 CODATA
Entropy (298.15K) entropy 197.66 0.00 J K-1 mol-1 CODATA
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.67 0.00 kJ mol-1 CODATA
Heat Capacity (298.15K) heat capacity 29.14   J K-1 mol-1 Gurvich
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 2170 1979HUB/HER      
Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
2169.756 13.28803 0.0104109 1.931602 1.750513E-02 1081.747 2007Iri:389

vibrational zero-point energy: 1084.9 cm-1
Calculated vibrational frequencies for CO (Carbon monoxide).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/CO.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  1.93128   1979HUB/HER

Calculated rotational constants for CO (Carbon monoxide).

Product of moments of inertia moments of inertia
8.72873amu Å2   1.449462E-39gm cm2

Geometric Data
picture of Carbon monoxide

Point Group C∞v

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
rCO 1.128 0.000 1 2 NISTdiatomic re

Cartesians
Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.0000
O2 0.0000 0.0000 1.1282

Atom - Atom Distances bond lengths
Distances in Å
  C1 O2
C1   1.1282
O2 1.1282  

Calculated geometries for CO (Carbon monoxide).

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

Connectivity
Atom 1 Atom 2
C1 O2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1 1979HUB/HER 1Σ

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference Comment
14.014 0.000 14.014   webbook questionable EA of 1.3703 eV

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Dipole (Debye) Reference comment
0.112 NSRDS-NBS10  

Calculated electric dipole moments for CO (Carbon monoxide).
Electric quadrupole moment quadrupole
Quadrupole (D Å) Reference comment
xx yy zz
1.420 1.420 -2.839 1998Gra/Imr:49 -9.47+-0.15 E-40 Cm^2

Calculated electric quadrupole moments for CO (Carbon monoxide).
Electric dipole polarizability (Å3) polarizability
alpha unc. Reference
1.953   1997Oln/Can:59

Calculated electric dipole polarizability for CO (Carbon monoxide).

References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
squib reference DOI
1979HUB/HER Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979  
1997Oln/Can:59 TN Olney, NM Cann, G Cooper, CE Brion, Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules, Chem. Phys. 223 (1997) 59-98 10.1016/S0301-0104(97)00145-6
1998Gra/Imr:49 C Graham, DA Imrie, RE Raab "Measurement of the electric quadrupole moments of CO2, CO, N2, Cl2 and BF3" Mol. Phys. 93(1), 1998, 49-56 10.1080/002689798169429
2007Iri:389 KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007 10.1063/1.2436891
CODATA Cox, J.D.; Wagman, D.D.; Medvedev, V.A.CODATA Key Values for Thermodynamics. Hemisphere, New York, 1989  
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989 10.1351/pac198961061027
NISTdiatomic NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html)  
NSRDS-NBS10 R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967  
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

Got a better number? Please email us at cccbdb@nist.gov


Browse
PreviousNext