ABSTRACT

A series of symmetrical dialkyl ammonium salts, DCnX, has been prepared and characterized with respect to temperature and enthalpy of solid.solid phase transitions, temperature of melting, thermal stability as well as the reversibility of the phase transitions. The number of carbon atoms, Cn, was varied between 8 and 18 and as anions X halides, nitrate, chlorate, perchlorate and hydrogen sulphate had been chosen. In dependence on chain length and anion type transition temperatures from 20 to 100 C were observed. Mass specific solid.solid transition enthalpies reach values of 185 J/g, which makes this class of substances attractive for heat storage applications. The influence of anion type on the transition enthalpies is explained in terms of packing requirements, hydrogen bond network formation and contributions from hindered anion rotation.

Compounds

#	Formula	Name
1	C16H36ClN	N-octyl-1-octaminium hydrochloride
2	C16H36N2O3	N-octyloctan-1-aminium nitrate
3	C16H36BrN	N-octyloctan-1-aminium bromide
4	C16H36IN	N-octyloctan-1-aminium iodide
5	C16H37NO4S	dioctylammonium hydrogen sulfate
6	C16H36ClNO3	N-octyloctan-1-aminium chlorate
7	C16H36ClNO4	N-octyloctan-1-aminium perchlorate
8	C16H38NO4P	N-octyloctan-1-aminium dihydrogen phosphate
9	C20H44N2O3	N-decyldecan-1-aminium nitrate
10	C20H44ClN	didecylammonium chloride
11	C20H44BrN	N-decyldecan-1-aminium bromide
12	C20H44ClNO3	N-decyldecan-1-aminium chlorate
13	C20H46NO4P	N-decyldecan-1-aminium dihydrogen phosphate
14	C24H52N2O3	N-dodecyldodecan-1-aminium nitrate
15	C24H52ClN	N-dodecyldodecan-1-aminium chloride
16	C24H52BrN	N-dodecyldodecan-1-aminium bromide
17	C24H52IN	N-dodecyldodecan-1-aminium iodide
18	C24H53NO4S	N-dodecyldodecan-1-aminium hydrogen sulfate
19	C24H52ClNO3	N-dodecyldodecan-1-aminium chlorate
20	C24H52ClNO4	N-dodecyldodecan-1-aminium perchlorate
21	C24H54NO4P	N-dodecyldodecan-1-aminium dihydrogen phosphate
22	C36H76N2O3	N-octadecyloctadecan-1-aminium nitrate
23	C36H76ClN	N-octadecyloctadecan-1-aminium chloride
24	C36H76BrN	N-octadecyloctadecan-1-aminium bromide
25	C36H76IN	N-octadecyloctadecan-1-aminium iodide
26	C36H77NO4S	N-octadecyloctadecan-1-aminium hydrogen sulfate
27	C36H76ClNO3	N-octadecyloctadecan-1-aminium chlorate
28	C36H76ClNO4	N-octadecyloctadecan-1-aminium perchlorate

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	Phase	Method	#Points
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	1	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	1	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	2	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	2	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	3	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	3	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	4	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 3	Crystal 3 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	4	Triple point temperature, K ; Crystal 3	Crystal 3 Crystal 2 Air at 1 atmosphere	DTA:corrimpFP	1
POMD	4	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 4	Crystal 4 Crystal 3 Air at 1 atmosphere	DSC	1
POMD	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 3	Crystal 3 Crystal 2 Air at 1 atmosphere	DSC	1
POMD	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	5	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	5	Triple point temperature, K ; Crystal 3	Crystal 3 Crystal 2 Air at 1 atmosphere	DTA:corrimp	1
POMD	5	Triple point temperature, K ; Crystal 4	Crystal 4 Crystal 3 Air at 1 atmosphere	DTA:corrimp	1
POMD	6	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	6	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	7	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	7	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	8	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	9	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	9	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	10	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	10	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	11	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	11	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	12	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	12	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	13	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	13	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	14	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	14	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	15	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	15	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	16	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	16	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	17	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	17	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	18	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 3	Crystal 3 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	18	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	18	Triple point temperature, K ; Crystal 3	Crystal 3 Crystal 2 Air at 1 atmosphere	DTA:corrimp	1
POMD	19	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	19	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	20	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	20	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	21	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	21	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	21	Triple point temperature, K ; Crystal 3	Crystal 3 Crystal 2 Air at 1 atmosphere	DTA:corrimp	1
POMD	22	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	22	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	23	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	23	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	24	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	24	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	25	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	25	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	26	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 3	Crystal 3 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	26	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	26	Triple point temperature, K ; Crystal 3	Crystal 3 Crystal 2 Air at 1 atmosphere	DTA:corrimp	1
POMD	27	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 3	Crystal 3 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	27	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1
POMD	27	Triple point temperature, K ; Crystal 3	Crystal 3 Crystal 2 Air at 1 atmosphere	DTA:corrimp	1
POMD	28	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DSC:FP	1
POMD	28	Triple point temperature, K ; Crystal 2	Crystal 2 Crystal 1 Air at 1 atmosphere	DTA:corrimp	1

Thermodynamics Research Center / ThermoML | Thermochimica Acta

Thermal characteristics of solid solid phase transitions in long-chain dialkyl ammonium salts

Steinert, S., Voigt, W., Glausch, R., Neuschutz, M.

ABSTRACT