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Experimental data for C3H7NO (dimethylformamide)

22 02 02 11 45
Other names
Formamide, N,N-dimethyl-; DMFA; N-Formyldimethylamine; N,N-Dimethylformamide; Formyldimethylamine; Dimethylforamide; NSC-5356; U-4224; DMF;
INChI INChIKey SMILES IUPAC name
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3 ZMXDDKWLCZADIW-UHFFFAOYSA-N CN(C)C=O N,N-Dimethylformamide
State Conformation
1A' CS
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 -191.60 3.30 kJ mol-1 1970COX/PIL
Hfg(0K) enthalpy of formation   3.30 kJ mol-1 1970COX/PIL
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 (dimethylformamide).
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 (dimethylformamide).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of dimethylformamide

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
rCH 1.112 0.003 4 7 1995Kuchitsu(II/23)
rCN 1.391 0.007 1 3 1995Kuchitsu(II/23)
rCN 1.453 0.004 3 4 1995Kuchitsu(II/23)
rCO 1.224 0.003 1 2 1995Kuchitsu(II/23)
aCNC 120.8 0.3 1 3 4 1995Kuchitsu(II/23)
aCNC 122.3 0.4 1 3 5 1995Kuchitsu(II/23)
aCNC 113.9 0.5 4 3 5 1995Kuchitsu(II/23)
aNCO 123.5 0.6 2 1 3 1995Kuchitsu(II/23)
aHCN 117 2.8 3 1 6 1995Kuchitsu(II/23)
dCNCO -16.3 4.5 2 1 3 4 1995Kuchitsu(II/23)
dCNCO -168.6 3.9 2 1 3 5 1995Kuchitsu(II/23)
aHCN 110.1 0.3 3 4 7 1995Kuchitsu(II/23)

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for C3H7NO (dimethylformamide).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-N 3
C=O 1
H-C 7

Connectivity
Atom 1 Atom 2
C1 O2
C1 N3
C1 H6
N3 C4
N3 C5
C4 H7
C4 H8
C4 H9
C5 H10
C5 H11
C5 H12
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A'
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