Name: ThermoML Representation of Published Experimental Data from Journal of Chemical Thermodynamics (0021-9614, Elsevier)
Creator: Thermodynamics Research Center
License: https://www.nist.gov/open/license

ABSTRACT

Solution and solvation enthalpies at infinite dilution of 1-bromoadamantane, 1-adamantanol, and 2-adamantanone are reported at 298.15 K in a set of 14 aprotic solvents. The specific interaction enthalpies of the solid solutes are calculated using a methodology recently published by other authors. 1-Adamantanol s specific interaction enthalpies show a good correlation with the Kamlet Taft b scale.

Compounds

#	Formula	Name
1	C4H8O2	ethyl acetate
2	C4H8O2	1,4-dioxane
3	C7H8	toluene
4	C6H12	cyclohexane
5	C6H14	hexane
6	C6H7N	aniline
7	C10H15Br	1-bromotricyclo[3.3.1.1(3,7)]decane
8	C10H16O	1-adamantanol
9	C10H14O	2-adamantanone
10	C4H9NO	N,N-dimethylethanamide
11	C2H3N	acetonitrile
12	C3H7NO	dimethylformamide
13	C3H6O	acetone
14	C2H6OS	dimethyl sulfoxide
15	C4H6O3	4-methyl-1,3-dioxolan-2-one
16	CH3NO2	nitromethane
17	CCl4	tetrachloromethane

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	Phase	Method	#Points
POMD	16 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	17 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	1 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	2 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	3 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	4 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	5 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	6 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	10 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	11 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	12 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	13 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	14 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	15 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	16 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	17 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	1 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	2 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	3 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	4 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	5 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	6 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	10 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	11 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	12 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	13 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	14 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	15 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	16 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	17 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	1 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	2 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	3 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	4 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	5 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	6 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	10 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	11 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	12 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	13 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	14 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1
POMD	15 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	1

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Determination of solvation and specific interaction enthalpies of adamantane derivatives in aprotic solvents

Nunes, N.[Nelson], Moreira, L.[Luis], Leitao, R. E.[Ruben E.], Martins, F.[Filomena]

ABSTRACT