Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Calorimetric and FTIR study of selected aliphatic heptanols

Serra, P. B. P.[Paulo B. P.], Ruzicka, K.[Kvitoslav], Fulem, M.[Michal], Vlk, O.[Ondrej], Krakovsky, I.[Ivan]
Fluid Phase Equilib. 2016, 423, 43-54
ABSTRACT
Isobaric liquid phase heat capacities of nine selected aliphatic heptanols (1-heptanol, CAS RN: 111-70-6; 3-heptanol, CAS RN: 589-82-2; 4-heptanol, CAS RN: 589-55-9; 2-methyl-2-hexanol, CAS RN: 625-23-0; 5-methyl-2-hexanol, CAS RN: 627-59-8; 2-methyl-3-hexanol, CAS RN: 617-29-8; 3-ethyl-3-pentanol, CAS RN: 597-49-9; 2,2-dimethyl-3-pentanol, CAS RN: 3970-62-5; 2,4-dimethyl-3-pentanol, CAS RN: 600-36-2) were measured with a highly sensitive Tian-Calvet calorimeter in the temperature range from 261 K to 382 K. Experimental heat capacity data were correlated as a function of temperature. For eight compounds, a maximum on temperature dependence of heat capacity was observed. The phase behavior was investigated with a differential scanning calorimeter. Calorimetric measurements were complemented by FTIR spectroscopy from room temperature to a maximum of 428 K. The main aim of this work was to fill the gap in reliable heat capacity data for these compounds and to extend the knowledge base required for a better understanding of alcohols self-association
Compounds
# Formula Name
1 C7H16O heptan-1-ol
2 C7H16O 3-heptanol
3 C7H16O 4-heptanol
4 C7H16O 2-methyl-2-hexanol
5 C7H16O 5-methyl-2-hexanol
6 C7H16O 2-methyl-3-hexanol
7 C7H16O 3-ethyl-3-pentanol
8 C7H16O 2,2-dimethyl-3-pentanol
9 C7H16O 2,4-dimethyl-3-pentanol
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
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Tian-Calvet Calorimiter; Setaram microDSC IIIa
  • 50
  • POMD
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Tian-Calvet Calorimiter; Setaram microDSC IIIa
  • 51
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Tian-Calvet Calorimiter; Setaram microDSC IIIa
  • 50
  • POMD
  • 4
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Tian-Calvet Calorimiter; Setaram microDSC IIIa
  • 51
  • POMD
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Tian-Calvet Calorimiter; Setaram microDSC IIIa
  • 51
  • POMD
  • 6
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Tian-Calvet Calorimiter; Setaram microDSC IIIa
  • 52
  • POMD
  • 7
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 7
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 7
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Tian-Calvet Calorimiter; Setaram microDSC IIIa
  • 42
  • POMD
  • 8
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 8
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 8
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Tian-Calvet Calorimiter; Setaram microDSC IIIa
  • 30
  • POMD
  • 9
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 9
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 9
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Tian-Calvet Calorimiter; Setaram microDSC IIIa
  • 52