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Experimental data for C4H8O2 (Butanoic acid)

22 02 02 11 45
Other names
Butyric acid; n-butanoic acid; n-butyric acid; 1-butanoic acid; Ethylacetic acid; Propylformic acid; 1-Butyric acid; 1-Propanecarboxylic acid;
INChI INChIKey SMILES IUPAC name
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) FERIUCNNQQJTOY-UHFFFAOYSA-N CCCC(O)=O Butanoic acid
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 -475.90 4.00 kJ mol-1 webbook
Hfg(0K) enthalpy of formation   4.00 kJ mol-1 webbook
Entropy (298.15K) entropy 353.26   J K-1 mol-1 webbook
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 C4H8O2 (Butanoic acid).
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 C4H8O2 (Butanoic acid).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
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