Buta-1,3-diyne

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational2.48kJ mol-1
Vibrational108.78kJ mol-1
Total (Trans. + Rot. + Vib.)117.45kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational8.31J mol-1 K-1
Vibrational34.42J mol-1 K-1
Total (Trans. + Rot. + Vib.)63.52J mol-1 K-1
Entropy
PropertyValueUnit
Translational157.54J mol-1 K-1
Rotational62.75J mol-1 K-1
Vibrational21.59J mol-1 K-1
Total (Trans. + Rot. + Vib.)241.88J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation428.31kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls