ABSTRACT

Vapor pressure data and sublimation enthalpies of organometallic compounds that were measured by thermogravimetry and the application of Langmuir's equation are reported. Herein is a detailed experimental procedure that is applied to nickelocene and cobaltocene. The accuracy and uncertainty for the experimental nickelocene sublimation enthalpy show that the measurement reliability is comparable to the direct calorimetric data that have already been reported for this organometallic compound. Furthermore, the melting temperature and enthalpy as well as the crystal-phase heat capacities between (295 to 420) K for cobaltocene and nickelocene were calorimetrically measured by differential scanning calorimetry (DSC), whereas the gas-phase heat capacities for these metallocenes were theoretically estimated using density functional theory (DFT) calculations.

Compounds

#	Formula	Name
1	C10H10Fe	ferrocene
2	C10H10Ni	nickelocene
3	C10H10Co	cobaltocene

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	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	1	Vapor or sublimation pressure, kPa ; Crystal	Temperature, K; Crystal		Crystal Gas	Rate of evaporation	27
POMD	2	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	2	Solid-liquid equilibrium temperature, K ; Crystal	Pressure, kPa; Crystal		Crystal Liquid	DTA	1
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	26
POMD	2	Vapor or sublimation pressure, kPa ; Crystal	Temperature, K; Crystal		Crystal Gas	Rate of evaporation	124
POMD	3	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	3	Solid-liquid equilibrium temperature, K ; Crystal	Pressure, kPa; Crystal		Crystal Liquid	DTA	1
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	26
POMD	3	Vapor or sublimation pressure, kPa ; Crystal	Temperature, K; Crystal		Crystal Gas	Rate of evaporation	91

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Vapor Pressures and Sublimation Enthalpies of Nickelocene and Cobaltocene Measured by Thermogravimetry

Vieyra-Eusebio, M. T.[Maria Teresa], Rojas, A.[Aaron]

ABSTRACT