Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Deuterium isotope differences in 2-propanone, (CH3)2CO/(CD3)2CO: A high-pressure sound-speed, density, and heat capacities study

Szydlowski, J., Gomes de Azevedo, R., Rebelo, L. P. N.[Luis P. N.], Esperanca, J. M. S. S., Guedes, H. J. R.
J. Chem. Thermodyn. 2005, 37, 7, 671-683
ABSTRACT
A new high-pressure, non-intrusive ultrasonic microcell [J. Chem. Thermodyn. 36 (2004), 211-222] was used to carry out sound-speed measurements in deuteriated 2-propanone (acetone-d6) in broad ranges of temperature (288 < T/K < 338) and pressure (0.1 < p/MPa < 160). To the best of our knowledge, there are no data regarding speed of sound of acetone-d6. (p, T) data for acetone-d6 were also determined but in a narrower T,p range (298 to 333 K; 0.1 to 60 MPa). In this interval, several thermodynamic properties were thus determined, such as: isentropic and isothermal compressibility, isobaric thermal expansivity, isobaric and isochoric specific heat capacity, and the thermal pressure coefficient. Comparisons with our data for acetone-h6 enabled us to establish the magnitude and sign of deuterium isotope effects for identical properties. These effects are a consequence of distinct vibrational mode frequencies in an isotope-invariant force constants' field. Molar heat capacities and their isotope effects were theoretically determined by employing an Einstein-like model for the vibrational frequencies of acetone-h6 and acetone-d6.
Compounds
# Formula Name
1 C3D6O (D6)-2-propanone
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • non intrusive technique with two piezoelectric transducers based on the time of flight
  • 108
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:mpoint:UFactor:2
  • 103