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Experimental data for C3H7NO (Propanamide)

22 02 02 11 45
Other names
Amid kyseliny propionove; Propanamide; Propanimidic acid; Propionamide; Propionic acid amide; Propionic amide; Propionimidic acid;
INChI INChIKey SMILES IUPAC name
InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5) QLNJFJADRCOGBJ-UHFFFAOYSA-N CCC(N)=O
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
Hfg(298.15K) enthalpy of formation -258.94 0.66 kJ mol-1 webbook
Hfg(0K) enthalpy of formation   0.66 kJ mol-1 webbook
Entropy (298.15K) entropy     J K-1 mol-1  
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity     kJ mol-1  
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 C3H7NO (Propanamide).
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 C3H7NO (Propanamide).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Propanamide

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 C3H7NO (Propanamide).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 5
H-N 2
C-C 2
C-N 1
C=O 1
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