Prop-1-ene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational134.68kJ mol-1
Total (Trans. + Rot. + Vib.)144.60kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational27.52J mol-1 K-1
Total (Trans. + Rot. + Vib.)60.78J mol-1 K-1
Entropy
PropertyValueUnit
Translational154.76J mol-1 K-1
Rotational89.18J mol-1 K-1
Vibrational16.41J mol-1 K-1
Total (Trans. + Rot. + Vib.)260.35J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation2644.57kJ mol-1

Calculation failed

NPFUNC= 0 DIFFS= F BASNAM=
RUN TITLE
---------
57faa48892c7e70af96938b4c8dbf5cd.log
THE POINT GROUP OF THE MOLECULE IS C1
THE ORDER OF THE PRINCIPAL AXIS IS 0
UNABLE TO GENERATE PRINCIPAL AXES
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Thu Mar 2 02:07:50 2017